A0A077Z581_TRITR Loading...

SH3 9 and RhoGEF and SH3 2 and BAR and SH3 1 doma in containing protein

AlphaFold DB , UniProt , Accession A0A077Z581, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,062 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M69.1Low85.5Confident64 Ų6446.4 Ų46.432%0.31522%0.216SC..  0128.80-76.3173.1173.500108.6L30 L45 I74 V76 Q123 P124 L125 I126M1-L30 HydrophobicContact CB-CD1 4.04Å; M1-L30 HydrophobicContact CG-CD1 4.11Å; M1-L30 HydrophobicContact SD-CD1 3.63Å; M1-L45 WeakPolarHBondContact CE-O 3.31Å; M1-L45 HydrophobicContact SD-CD1 4.21Å; M1-I74 HydrophobicContact SD-CG2 4.08Å; M1-V76 HydrophobicContact CE-CG1 4.47Å; M1-Q123 HydrophobicContact CE-CG 4.28Å; M1-Q123 HydrophobicContact CG-CG 4Å; M1-Q123 HydrophobicContact SD-CB 4.31Å; M1-Q123 HydrophobicContact SD-CG 4.15Å; M1-P124 PolarHBondContact N-O 3.18Å; M1-L125 HydrophobicContact CB-CD1 4.46Å; M1-I126 PolarHBondContact O-N 3.49Å
2L75.7Confident86.2Confident94 Ų9450 Ų5049%0.49224%0.238SC..EExtended strand (participates in β ladder)trans-98.8124178.6-172.178000109.3K32 I126 A128L2-K32 WeakPolarHBondContact O-CD 3.45Å; L2-K32 WeakPolarHBondContact O-CE 3.35Å; L2-K32 PolarHBondContact O-NZ 3.4Å; L2-I126 WeakPolarHBondContact CA-O 3.42Å; L2-I126 HydrophobicContact CD1-CB 4.09Å; L2-I126 HydrophobicContact CD1-CG2 3.76Å; L2-A128 HydrophobicContact CD1-CB 4.08Å; L2-A128 HydrophobicContact CG-CB 4.34Å
3A82.5Confident86.2Confident3 Ų347.9 Ų47.93%0.02523%0.228CC..EExtended strand (participates in β ladder)trans-149.9153.3178.300000110.6G5 L30 I31 L125 I126 V127 A128A3-G5 WeakPolarHBondContact CB-O 3.47Å; A3-L30 HydrophobicContact CB-CB 4.12Å; A3-L30 HydrophobicContact CB-CD2 4.3Å; A3-I31 CarbonylContact C-O 3.59Å; A3-I31 WeakPolarHBondContact CA-O 3.22Å; A3-I31 WeakPolarHBondContact CB-O 3.03Å; A3-L125 HydrophobicContact CB-CD1 4.08Å; A3-I126 PolarHBondContact N-O 2.99Å; A3-I126 VanDerWaalsContact N-O 3.14Å; A3-V127 CarbonylContact O-C 3.46Å; A3-V127 VanDerWaalsContact O-CA 3.28Å; A3-V127 WeakPolarHBondContact O-CA 3.15Å; A3-A128 PolarHBondContact O-N 3.14Å
4V83Confident86.3Confident32 Ų3253.5 Ų53.519%0.19425%0.253CS..SBendtrans-84-29.5170.3179.50000110.4I31 K32 A128 E130V4-I31 PolarHBondContact N-O 2.73Å; V4-K32 VanDerWaalsContact CG2-O 3.29Å; V4-K32 WeakPolarHBondContact CG2-O 3.42Å; V4-A128 HydrophobicContact CG2-CB 4.24Å; V4-E130 HydrophobicContact CG1-CG 4.19Å
5G87.4Confident85.9Confident2 Ų251.2 Ų51.22%0.02125%0.245CC..EExtended strand (participates in β ladder)trans-159.4174.3177.800000111.7A3 I31A3-G5 WeakPolarHBondContact CB-O 3.47Å; G5-I31 PolarHBondContact N-O 2.9Å; G5-I31 WeakPolarHBondContact O-CB 3.43Å; G5-I31 PolarHBondContact O-N 3.36Å
6V90.5Very high85.2Confident1 Ų156.4 Ų56.41%0.00629%0.289CS..EExtended strand (participates in β ladder)trans-122.9138.5174.2-179.10000107.2V28 L30 E61 L63 I74 V94 L125V6-V28 HydrophobicContact CG1-CG1 3.65Å; V6-L30 HydrophobicContact CG2-CD2 4.06Å; V6-E61 PolarHBondContact O-N 3.23Å; V6-L63 HydrophobicContact CB-CD2 4.36Å; V6-L63 HydrophobicContact CG2-CD2 4.04Å; V6-I74 HydrophobicContact CG1-CD1 4.22Å; V6-I74 HydrophobicContact CG2-CD1 4.46Å; V6-V94 HydrophobicContact CG1-CG2 4.4Å; V6-V94 HydrophobicContact CG2-CG2 4.39Å; V6-L125 HydrophobicContact CG2-CD1 4.35Å; V6-L125 HydrophobicContact CG2-CD2 3.65Å
7A92Very high84.5Confident0 Ų056.6 Ų56.60%029%0.294CS..EExtended strand (participates in β ladder)trans-134.4152.1177.300000111.5I29 I31 V58 L59A7-I29 PolarHBondContact N-O 3.23Å; A7-I29 PolarHBondContact O-N 3.14Å; A7-I31 HydrophobicContact CB-CD1 3.98Å; A7-I31 HydrophobicContact CB-CG1 4.2Å; A7-V58 HydrophobicContact CB-CB 3.9Å; A7-V58 HydrophobicContact CB-CG2 3.76Å; A7-L59 CarbonylContact C-O 3.6Å; A7-L59 VanDerWaalsContact CA-O 3.23Å; A7-L59 WeakPolarHBondContact CA-O 3.23Å
8R92.1Very high84.1Confident93 Ų9359.3 Ų59.335%0.35133%0.325SS..EExtended strand (participates in β ladder)trans-113.6128.2177.9-164.3-172.4-41.1-143.22.4109.5L10 V28 V58 L59 E61R8-L10 PolarHBondContact O-N 3.19Å; R8-V28 HydrophobicContact CG-CG2 4.35Å; R8-V58 CarbonylContact O-C 3.55Å; R8-V58 VanDerWaalsContact O-CA 3.26Å; R8-V58 WeakPolarHBondContact O-CA 3.44Å; R8-L59 PolarHBondContact N-O 2.91Å; R8-L59 PolarHBondContact O-N 3.12Å; R8-E61 IonicContact CZ-OE1 3.93Å; R8-E61 IonicContact NE-OE1 3.69Å; R8-E61 PolarHBondContact NE-OE1 3.47Å; R8-E61 VanDerWaalsContact NH2-CD 3.3Å; R8-E61 IonicContact NH2-OE1 3.71Å; R8-E61 PolarHBondContact NH2-OE1 2.84Å; R8-E61 IonicContact NH2-OE2 3.78Å
9A92.4Very high83.9Confident3 Ų358.9 Ų58.93%0.02534%0.337CS..EExtended strand (participates in β ladder)trans-64.9125.7177.300000110.7F23 N24 G26 D27A9-F23 HydrophobicContact CB-CD2 3.37Å; A9-F23 HydrophobicContact CB-CE2 3.6Å; A9-F23 HydrophobicContact CB-CG 4.35Å; A9-N24 WeakPolarHBondContact CB-O 3.42Å; A9-G26 PolarHBondContact O-N 3.25Å; A9-D27 HydrophobicContact CB-CB 4.32Å; A9-D27 PolarHBondContact N-O 2.81Å
10L87.9Confident84.2Confident74 Ų7457.4 Ų57.439%0.38733%0.327SS..SBendtrans-85.9-30.9173.2-66.1175.6000111.2R8 S25 Y57 L59R8-L10 PolarHBondContact O-N 3.19Å; L10-S25 PolarHBondContact O-OG 2.83Å; L10-Y57 PolarHBondContact N-O 2.83Å; L10-L59 HydrophobicContact CD1-CB 4.23Å; L10-L59 HydrophobicContact CD2-CB 4.02Å; L10-L59 HydrophobicContact CG-CB 4.1Å
11Y88.2Confident84.4Confident144 Ų14454.7 Ų54.757%0.56531%0.312SS*.SBendtrans-136158.8-175.8-51.9-70.6000110.8
12D93.2Very high85.3Confident90 Ų9055.7 Ų55.748%0.48132%0.316SS..  trans-66136.4170.4-57.2-23.3000110.1N24 S25 Y57D12-N24 WeakPolarHBondContact OD1-CA 3.16Å; D12-S25 WeakPolarHBondContact OD1-CB 3.25Å; D12-S25 PolarHBondContact OD1-N 2.75Å; D12-Y57 WeakPolarHBondContact O-CE1 3.45Å
13F86.9Confident86.1Confident23 Ų2351.3 Ų51.310%0.10129%0.293CS..BIsolated β-bridgetrans-127.8107.7174.2-176.9-112.2000109.9D20 L21 Q22 F23 F53 P54 Y57F13-D20 HydrophobicContact CE1-CB 4.21Å; F13-L21 WeakPolarHBondContact CD1-O 3.47Å; F13-Q22 CarbonylContact O-C 3.54Å; F13-Q22 WeakPolarHBondContact O-CA 3.49Å; F13-Q22 WeakPolarHBondContact O-CB 3.38Å; F13-F23 HydrophobicContact CB-CD1 4.39Å; F13-F23 HydrophobicContact CB-CD2 3.98Å; F13-F23 HydrophobicContact CB-CE1 4.01Å; F13-F23 HydrophobicContact CB-CE2 3.55Å; F13-F23 HydrophobicContact CB-CG 4.39Å; F13-F23 HydrophobicContact CB-CZ 3.58Å; F13-F23 HydrophobicContact CD1-CD1 4.43Å; F13-F23 AromaticContact CD1-CE1 3.9Å; F13-F23 HydrophobicContact CD1-CE1 3.9Å; F13-F23 HydrophobicContact CD1-CZ 4.16Å; F13-F23 HydrophobicContact CG-CE1 4.32Å; F13-F23 HydrophobicContact CG-CZ 4.13Å; F13-F23 PolarHBondContact N-O 2.8Å; F13-F23 PolarHBondContact O-N 3.45Å; F13-F53 HydrophobicContact CD1-CB 4.35Å; F13-F53 HydrophobicContact CE1-CB 4.27Å; F13-P54 HydrophobicContact CD2-CG 4.29Å; F13-P54 HydrophobicContact CE2-CG 3.77Å; F13-P54 HydrophobicContact CZ-CG 4.03Å; F13-Y57 HydrophobicContact CB-CD1 3.9Å; F13-Y57 HydrophobicContact CB-CE1 4.35Å; F13-Y57 HydrophobicContact CD2-CD1 4.05Å; F13-Y57 AromaticContact CD2-CE1 3.98Å; F13-Y57 HydrophobicContact CD2-CE1 3.98Å; F13-Y57 HydrophobicContact CG-CD1 4.35Å
14H88Confident86.5Confident126 Ų12654.9 Ų54.958%0.58331%0.311SS*.  trans-119.7116.1176.2-60.7-45.1000109.2N24H14-N24 PolarHBondContact CE1-OD1 3.31Å
15S79.5Confident86.9Confident19 Ų1956.6 Ų56.613%0.13333%0.325CS..  trans-119137.9178.1179.50000109.8T17 D20 Q22S15-T17 WeakPolarHBondContact OG-CB 3.41Å; S15-T17 PolarHBondContact OG-N 3.36Å; S15-T17 VanDerWaalsContact OG-N 3.12Å; S15-T17 PolarHBondContact OG-OG1 3.12Å; S15-D20 WeakPolarHBondContact CB-OD2 3.32Å; S15-D20 PolarHBondContact OG-OD2 3.32Å; S15-Q22 VanDerWaalsContact O-CD 3.25Å; S15-Q22 PolarHBondContact O-NE2 3.18Å
16S74.4Confident86.9Confident134 Ų13458.8 Ų58.894%0.93735%0.347SS*.  trans-81.2-3.9171520000112.7
17T74Confident86.9Confident61 Ų6161.1 Ų61.137%0.37436%0.36SS..SBendtrans-82.7129.4-177.4-52.40000111.3S15 G19 D20S15-T17 WeakPolarHBondContact OG-CB 3.41Å; S15-T17 PolarHBondContact OG-N 3.36Å; S15-T17 VanDerWaalsContact OG-N 3.12Å; S15-T17 PolarHBondContact OG-OG1 3.12Å; T17-G19 PolarHBondContact O-N 3.32Å; T17-D20 PolarHBondContact O-N 3.33Å
18A77.5Confident86.9Confident104 Ų10462.2 Ų62.286%0.8637%0.366SS*.THydrogen-bonded Turntrans-66.6127.5173.400000110.8
19G80.3Confident86.9Confident53 Ų5357.9 Ų57.955%0.54635%0.35SS..THydrogen-bonded Turntrans105.4-10.9-178.300000114.6T17 G51 I52T17-G19 PolarHBondContact O-N 3.32Å; G19-G51 CarbonylContact O-C 3.29Å; G19-G51 WeakPolarHBondContact O-CA 3.39Å; G19-I52 PolarHBondContact O-N 3.44Å
20D88.8Confident86.8Confident27 Ų2757.9 Ų57.914%0.14435%0.349CS..BIsolated β-bridgetrans-83.2138174.8-70.20.2000110.9F13 S15 T17 Q22 I52F13-D20 HydrophobicContact CE1-CB 4.21Å; S15-D20 WeakPolarHBondContact CB-OD2 3.32Å; S15-D20 PolarHBondContact OG-OD2 3.32Å; T17-D20 PolarHBondContact O-N 3.33Å; D20-Q22 PolarHBondContact O-N 3.04Å; D20-I52 WeakPolarHBondContact CA-O 3.43Å; D20-I52 WeakPolarHBondContact OD1-CG1 3.5Å
21L89.5Confident87Confident2 Ų254.3 Ų54.31%0.0133%0.331CS..  trans-83.4106.6174.9-179.564.5000109.2F13 F23 I29 R49 I52 F53F13-L21 WeakPolarHBondContact CD1-O 3.47Å; L21-F23 HydrophobicContact CD2-CD1 4.42Å; L21-F23 HydrophobicContact CG-CD1 4.15Å; L21-F23 WeakPolarHBondContact O-CD1 3.11Å; L21-F23 WeakPolarHBondContact O-CE1 3.41Å; L21-I29 HydrophobicContact CD2-CD1 4.45Å; L21-I29 HydrophobicContact CD2-CG1 4.37Å; L21-I29 HydrophobicContact CD2-CG2 3.59Å; L21-R49 HydrophobicContact CD1-CB 3.53Å; L21-I52 PolarHBondContact N-O 3.43Å; L21-F53 HydrophobicContact CB-CD1 4.18Å; L21-F53 HydrophobicContact CD2-CD1 3.87Å; L21-F53 HydrophobicContact CD2-CE1 4.13Å
22Q88.7Confident86.9Confident84 Ų8450.2 Ų50.239%0.39332%0.316SS..  trans-82.5141.8174.4-56.6-178.249.400111.1F13 S15 D20 R49F13-Q22 CarbonylContact O-C 3.54Å; F13-Q22 WeakPolarHBondContact O-CA 3.49Å; F13-Q22 WeakPolarHBondContact O-CB 3.38Å; S15-Q22 VanDerWaalsContact O-CD 3.25Å; S15-Q22 PolarHBondContact O-NE2 3.18Å; D20-Q22 PolarHBondContact O-N 3.04Å; Q22-R49 PolarHBondContact O-NH1 3.44Å
23F91.1Very high86.5Confident3 Ų351.6 Ų51.61%0.01332%0.315CS..BIsolated β-bridgetrans-158.7164.6-179.551.2-100.4000111.9A9 F13 L21 D27 I29 F53 V58A9-F23 HydrophobicContact CB-CD2 3.37Å; A9-F23 HydrophobicContact CB-CE2 3.6Å; A9-F23 HydrophobicContact CB-CG 4.35Å; F13-F23 HydrophobicContact CB-CD1 4.39Å; F13-F23 HydrophobicContact CB-CD2 3.98Å; F13-F23 HydrophobicContact CB-CE1 4.01Å; F13-F23 HydrophobicContact CB-CE2 3.55Å; F13-F23 HydrophobicContact CB-CG 4.39Å; F13-F23 HydrophobicContact CB-CZ 3.58Å; F13-F23 HydrophobicContact CD1-CD1 4.43Å; F13-F23 AromaticContact CD1-CE1 3.9Å; F13-F23 HydrophobicContact CD1-CE1 3.9Å; F13-F23 HydrophobicContact CD1-CZ 4.16Å; F13-F23 HydrophobicContact CG-CE1 4.32Å; F13-F23 HydrophobicContact CG-CZ 4.13Å; F13-F23 PolarHBondContact N-O 2.8Å; F13-F23 PolarHBondContact O-N 3.45Å; L21-F23 HydrophobicContact CD2-CD1 4.42Å; L21-F23 HydrophobicContact CG-CD1 4.15Å; L21-F23 WeakPolarHBondContact O-CD1 3.11Å; L21-F23 WeakPolarHBondContact O-CE1 3.41Å; F23-D27 HydrophobicContact CB-CB 3.98Å; F23-D27 WeakPolarHBondContact CB-OD2 3.37Å; F23-I29 HydrophobicContact CB-CD1 4.33Å; F23-I29 HydrophobicContact CD1-CD1 3.38Å; F23-I29 HydrophobicContact CD1-CG1 4.41Å; F23-I29 HydrophobicContact CD2-CD1 4.04Å; F23-I29 HydrophobicContact CE1-CD1 3.49Å; F23-I29 VanDerWaalsContact CE1-CD1 3.49Å; F23-I29 HydrophobicContact CE2-CD1 4.14Å; F23-I29 HydrophobicContact CG-CD1 3.66Å; F23-I29 HydrophobicContact CZ-CD1 3.87Å; F23-F53 HydrophobicContact CE1-CB 3.54Å; F23-F53 HydrophobicContact CE1-CD1 4.42Å; F23-F53 HydrophobicContact CE1-CD2 4.11Å; F23-F53 AromaticContact CE1-CG 3.77Å; F23-F53 HydrophobicContact CE1-CG 3.77Å; F23-F53 HydrophobicContact CZ-CB 4.1Å; F23-F53 HydrophobicContact CZ-CD2 4.23Å; F23-F53 HydrophobicContact CZ-CG 4.31Å; F23-V58 HydrophobicContact CE2-CG1 4.19Å; F23-V58 HydrophobicContact CZ-CG1 3.86Å
24N92.2Very high86.4Confident77 Ų7753.8 Ų53.841%0.41232%0.324SS..  trans-103.9158175.4-63.5-10.8000111A9 D12 H14 G26 D27A9-N24 WeakPolarHBondContact CB-O 3.42Å; D12-N24 WeakPolarHBondContact OD1-CA 3.16Å; H14-N24 PolarHBondContact CE1-OD1 3.31Å; N24-G26 PolarHBondContact O-N 2.84Å; N24-D27 PolarHBondContact N-OD2 3.09Å; N24-D27 VanDerWaalsContact O-CB 3.23Å; N24-D27 WeakPolarHBondContact O-CB 3.26Å; N24-D27 PolarHBondContact O-N 3.28Å
25S90.8Very high85.8Confident69 Ų6950.3 Ų50.348%0.48331%0.312SS..THydrogen-bonded Turntrans-51.7128.5170.3-176.30000109.9L10 D12L10-S25 PolarHBondContact O-OG 2.83Å; D12-S25 WeakPolarHBondContact OD1-CB 3.25Å; D12-S25 PolarHBondContact OD1-N 2.75Å
26G86.3Confident85.6Confident47 Ų4752.8 Ų52.849%0.48532%0.323SS..THydrogen-bonded Turntrans94.3-16.3-174.200000115.3A9 N24A9-G26 PolarHBondContact O-N 3.25Å; N24-G26 PolarHBondContact O-N 2.84Å
27D91.6Very high85.7Confident51 Ų5153.2 Ų53.227%0.27332%0.315SS..  trans-62.4143177.3-79-5.7000111.3A9 F23 N24 R49A9-D27 HydrophobicContact CB-CB 4.32Å; A9-D27 PolarHBondContact N-O 2.81Å; F23-D27 HydrophobicContact CB-CB 3.98Å; F23-D27 WeakPolarHBondContact CB-OD2 3.37Å; N24-D27 PolarHBondContact N-OD2 3.09Å; N24-D27 VanDerWaalsContact O-CB 3.23Å; N24-D27 WeakPolarHBondContact O-CB 3.26Å; N24-D27 PolarHBondContact O-N 3.28Å; D27-R49 IonicContact OD2-NH2 2.83Å
28V90.7Very high85.7Confident22 Ų2255.6 Ų55.613%0.13333%0.325CS..EExtended strand (participates in β ladder)trans-101.6129.4176179.80000111V6 R8 I74V6-V28 HydrophobicContact CG1-CG1 3.65Å; R8-V28 HydrophobicContact CG-CG2 4.35Å; V28-I74 HydrophobicContact CG1-CD1 4.28Å
29I92.9Very high86.1Confident2 Ų253 Ų531%0.0129%0.294CS..EExtended strand (participates in β ladder)trans-122.7131.1-171-56164.9000109.1A7 L21 F23 F53 V58A7-I29 PolarHBondContact N-O 3.23Å; A7-I29 PolarHBondContact O-N 3.14Å; L21-I29 HydrophobicContact CD2-CD1 4.45Å; L21-I29 HydrophobicContact CD2-CG1 4.37Å; L21-I29 HydrophobicContact CD2-CG2 3.59Å; F23-I29 HydrophobicContact CB-CD1 4.33Å; F23-I29 HydrophobicContact CD1-CD1 3.38Å; F23-I29 HydrophobicContact CD1-CG1 4.41Å; F23-I29 HydrophobicContact CD2-CD1 4.04Å; F23-I29 HydrophobicContact CE1-CD1 3.49Å; F23-I29 VanDerWaalsContact CE1-CD1 3.49Å; F23-I29 HydrophobicContact CE2-CD1 4.14Å; F23-I29 HydrophobicContact CG-CD1 3.66Å; F23-I29 HydrophobicContact CZ-CD1 3.87Å; I29-F53 HydrophobicContact CG2-CD1 4.38Å; I29-F53 HydrophobicContact CG2-CE1 3.56Å; I29-F53 HydrophobicContact CG2-CZ 3.74Å; I29-V58 HydrophobicContact CD1-CG1 3.96Å
30L91.1Very high86.5Confident3 Ų351.1 Ų51.12%0.01627%0.27CS..EExtended strand (participates in β ladder)trans-87.4113.9173.7-62.6174.3000109.1M1 A3 V6 K32 G42 E43 I74 L125M1-L30 HydrophobicContact CB-CD1 4.04Å; M1-L30 HydrophobicContact CG-CD1 4.11Å; M1-L30 HydrophobicContact SD-CD1 3.63Å; A3-L30 HydrophobicContact CB-CB 4.12Å; A3-L30 HydrophobicContact CB-CD2 4.3Å; V6-L30 HydrophobicContact CG2-CD2 4.06Å; L30-K32 PolarHBondContact O-N 3.4Å; L30-G42 CarbonylContact O-C 3.52Å; L30-G42 WeakPolarHBondContact O-CA 3.21Å; L30-E43 PolarHBondContact N-O 3.21Å; L30-E43 PolarHBondContact O-N 2.79Å; L30-I74 HydrophobicContact CD2-CD1 4.05Å; L30-L125 HydrophobicContact CD2-CD1 4.04Å
31I91.5Very high86.5Confident0 Ų051.5 Ų51.50%027%0.271CS..EExtended strand (participates in β ladder)trans-72.9114.8176.6-58.6167.7000108A3 V4 G5 A7 K34 F40 F53 E60A3-I31 CarbonylContact C-O 3.59Å; A3-I31 WeakPolarHBondContact CA-O 3.22Å; A3-I31 WeakPolarHBondContact CB-O 3.03Å; V4-I31 PolarHBondContact N-O 2.73Å; G5-I31 PolarHBondContact N-O 2.9Å; G5-I31 WeakPolarHBondContact O-CB 3.43Å; G5-I31 PolarHBondContact O-N 3.36Å; A7-I31 HydrophobicContact CB-CD1 3.98Å; A7-I31 HydrophobicContact CB-CG1 4.2Å; I31-K34 HydrophobicContact CG2-CG 4.37Å; I31-F40 HydrophobicContact CD1-CD2 3.68Å; I31-F40 HydrophobicContact CD1-CE2 3.92Å; I31-F40 HydrophobicContact CG1-CD2 4.11Å; I31-F40 HydrophobicContact CG2-CB 4.27Å; I31-F40 HydrophobicContact CG2-CD2 4.29Å; I31-F40 HydrophobicContact CG2-CG 4.29Å; I31-F53 HydrophobicContact CG1-CZ 4.4Å; I31-E60 HydrophobicContact CD1-CG 4.1Å
32K86.8Confident86.6Confident58 Ų5851.4 Ų51.425%0.25227%0.271SS..EExtended strand (participates in β ladder)trans-85.1-38.2176.1-55.6-62.4-79.1-1520111.2L2 V4 L30 E41 E43L2-K32 WeakPolarHBondContact O-CD 3.45Å; L2-K32 WeakPolarHBondContact O-CE 3.35Å; L2-K32 PolarHBondContact O-NZ 3.4Å; V4-K32 VanDerWaalsContact CG2-O 3.29Å; V4-K32 WeakPolarHBondContact CG2-O 3.42Å; L30-K32 PolarHBondContact O-N 3.4Å; K32-E41 WeakPolarHBondContact CA-O 3.41Å; K32-E41 PolarHBondContact N-O 2.79Å; K32-E43 HydrophobicContact CD-CB 4.15Å; K32-E43 WeakPolarHBondContact CE-OE2 3.37Å; K32-E43 HydrophobicContact CG-CB 4.17Å; K32-E43 IonicContact NZ-OE2 2.68Å; K32-E43 PolarHBondContact NZ-OE2 3.44Å
33R84.4Confident86.8Confident119 Ų11949.3 Ų49.345%0.44926%0.261SS..EExtended strand (participates in β ladder)trans-158.4139.4-177.8-171.8179.66488.91.1110.4V35 E41R33-V35 VanDerWaalsContact NH2-CG2 3.35Å; R33-V35 PolarHBondContact O-N 2.87Å; R33-E41 HydrophobicContact CB-CB 4.3Å; R33-E41 IonicContact CZ-OE2 2.83Å; R33-E41 PolarHBondContact N-O 3.21Å; R33-E41 VanDerWaalsContact N-O 3.09Å; R33-E41 IonicContact NE-OE2 2.67Å; R33-E41 PolarHBondContact NE-OE2 3.13Å; R33-E41 IonicContact NH2-OE2 3.04Å; R33-E41 PolarHBondContact NH2-OE2 3.22Å; R33-E41 PolarHBondContact O-N 3.12Å
34K83.5Confident86.7Confident69 Ų6949.6 Ų49.630%0.326%0.263SS..EExtended strand (participates in β ladder)trans-81.3114.9168.7-58.1-169.6178.1-173.20107.9I31 F40 E60 E130I31-K34 HydrophobicContact CG2-CG 4.37Å; K34-F40 HydrophobicContact CB-CD1 3.69Å; K34-F40 HydrophobicContact CB-CE1 3.59Å; K34-F40 HydrophobicContact CD-CD1 4.38Å; K34-F40 HydrophobicContact CD-CE1 3.63Å; K34-F40 HydrophobicContact CD-CZ 3.71Å; K34-F40 HydrophobicContact CG-CD1 3.69Å; K34-F40 HydrophobicContact CG-CE1 3.44Å; K34-F40 VanDerWaalsContact CG-CE1 3.44Å; K34-F40 HydrophobicContact CG-CG 4.37Å; K34-F40 HydrophobicContact CG-CZ 3.91Å; K34-E60 WeakPolarHBondContact CE-OE1 3.34Å; K34-E60 IonicContact NZ-OE1 3.46Å; K34-E60 PolarHBondContact NZ-OE1 3.36Å; K34-E60 IonicContact NZ-OE2 3.09Å; K34-E60 PolarHBondContact NZ-OE2 2.76Å; K34-E60 VanDerWaalsContact NZ-OE2 3.08Å; K34-E130 WeakPolarHBondContact CD-OE1 3.32Å; K34-E130 IonicContact NZ-OE1 2.89Å
35V75.8Confident86.4Confident53 Ų5347 Ų4732%0.32125%0.249SC..  trans-77.1-44.9-176.5-174.30000110R33 W39 E41 I52R33-V35 VanDerWaalsContact NH2-CG2 3.35Å; R33-V35 PolarHBondContact O-N 2.87Å; V35-W39 WeakPolarHBondContact CA-O 3.32Å; V35-W39 HydrophobicContact CB-CB 4.23Å; V35-W39 WeakPolarHBondContact CB-O 3.3Å; V35-W39 PolarHBondContact N-O 3.12Å; V35-E41 HydrophobicContact CG2-CB 3.85Å; V35-I52 HydrophobicContact CG2-CG2 4.13Å
36N76.5Confident85.9Confident70 Ų7048.2 Ų48.237%0.37425%0.25SS..SBendtrans-161.6-165.5171.858.629.5000108.9D38 W39N36-D38 PolarHBondContact O-N 2.62Å; N36-D38 PolarHBondContact OD1-N 2.92Å; N36-W39 PolarHBondContact N-O 3.19Å; N36-W39 VanDerWaalsContact N-O 3.14Å; N36-W39 WeakPolarHBondContact OD1-CB 3.11Å; N36-W39 PolarHBondContact OD1-N 3.03Å
37N76.3Confident85.6Confident144 Ų14447.9 Ų47.977%0.7725%0.246SC*.SBendtrans-65.5-21.5-179.7-66.3-21.4000114.1
38D73.7Confident85.2Confident110 Ų11055.8 Ų55.859%0.58827%0.272SS*.SBendtrans-112.2-17.8-172.3-58.6-53.3000113.2N36 P54 V55N36-D38 PolarHBondContact O-N 2.62Å; N36-D38 PolarHBondContact OD1-N 2.92Å; D38-P54 CarbonylContact O-C 3.51Å; D38-P54 VanDerWaalsContact O-CA 3.3Å; D38-P54 WeakPolarHBondContact O-CA 3.38Å; D38-V55 VanDerWaalsContact C-CG2 3.41Å; D38-V55 WeakPolarHBondContact O-CG2 3.24Å; D38-V55 PolarHBondContact O-N 2.84Å
39W85Confident85Confident51 Ų5159.8 Ų59.819%0.19329%0.285CS..EExtended strand (participates in β ladder)trans-133.1130.4-174.9-69.782.1000112.3V35 N36 I52 F53 P54V35-W39 WeakPolarHBondContact CA-O 3.32Å; V35-W39 HydrophobicContact CB-CB 4.23Å; V35-W39 WeakPolarHBondContact CB-O 3.3Å; V35-W39 PolarHBondContact N-O 3.12Å; N36-W39 PolarHBondContact N-O 3.19Å; N36-W39 VanDerWaalsContact N-O 3.14Å; N36-W39 WeakPolarHBondContact OD1-CB 3.11Å; N36-W39 PolarHBondContact OD1-N 3.03Å; W39-I52 HydrophobicContact CE3-CB 4.1Å; W39-I52 HydrophobicContact CE3-CD1 4.01Å; W39-I52 HydrophobicContact CE3-CG1 4.05Å; W39-I52 HydrophobicContact CZ3-CD1 4.2Å; W39-I52 HydrophobicContact CZ3-CG1 4.13Å; W39-F53 WeakPolarHBondContact CA-O 3.1Å; W39-P54 HydrophobicContact CE3-CG 4.48Å; W39-P54 HydrophobicContact CH2-CG 3.91Å; W39-P54 HydrophobicContact CZ2-CG 4.24Å; W39-P54 HydrophobicContact CZ3-CG 4.03Å
40F89.2Confident84.8Confident12 Ų1266.7 Ų66.75%0.05331%0.311CS..EExtended strand (participates in β ladder)trans-112.8147.9169.9-67.8-14000110.7I31 K34 I52 F53 V55I31-F40 HydrophobicContact CD1-CD2 3.68Å; I31-F40 HydrophobicContact CD1-CE2 3.92Å; I31-F40 HydrophobicContact CG1-CD2 4.11Å; I31-F40 HydrophobicContact CG2-CB 4.27Å; I31-F40 HydrophobicContact CG2-CD2 4.29Å; I31-F40 HydrophobicContact CG2-CG 4.29Å; K34-F40 HydrophobicContact CB-CD1 3.69Å; K34-F40 HydrophobicContact CB-CE1 3.59Å; K34-F40 HydrophobicContact CD-CD1 4.38Å; K34-F40 HydrophobicContact CD-CE1 3.63Å; K34-F40 HydrophobicContact CD-CZ 3.71Å; K34-F40 HydrophobicContact CG-CD1 3.69Å; K34-F40 HydrophobicContact CG-CE1 3.44Å; K34-F40 VanDerWaalsContact CG-CE1 3.44Å; K34-F40 HydrophobicContact CG-CG 4.37Å; K34-F40 HydrophobicContact CG-CZ 3.91Å; F40-I52 CarbonylContact O-C 3.55Å; F40-I52 VanDerWaalsContact O-CA 3.27Å; F40-I52 WeakPolarHBondContact O-CA 3.2Å; F40-F53 HydrophobicContact CB-CE1 4.19Å; F40-F53 HydrophobicContact CB-CE2 3.93Å; F40-F53 HydrophobicContact CB-CZ 3.71Å; F40-F53 HydrophobicContact CD2-CE2 4.47Å; F40-F53 PolarHBondContact N-O 2.56Å; F40-F53 WeakPolarHBondContact O-CD1 3.24Å; F40-F53 PolarHBondContact O-N 3.03Å; F40-V55 HydrophobicContact CB-CG2 4.44Å; F40-V55 HydrophobicContact CD1-CG2 3.44Å; F40-V55 VanDerWaalsContact CD1-CG2 3.44Å; F40-V55 HydrophobicContact CD2-CG2 3.76Å; F40-V55 HydrophobicContact CE1-CG2 3.41Å; F40-V55 VanDerWaalsContact CE1-CG2 3.41Å; F40-V55 HydrophobicContact CE2-CB 4.41Å; F40-V55 HydrophobicContact CE2-CG1 3.89Å; F40-V55 HydrophobicContact CE2-CG2 3.75Å; F40-V55 HydrophobicContact CG-CG2 3.62Å; F40-V55 HydrophobicContact CZ-CB 4.43Å; F40-V55 HydrophobicContact CZ-CG1 3.9Å; F40-V55 HydrophobicContact CZ-CG2 3.57Å
41E89.6Confident84.7Confident35 Ų3567 Ų6716%0.16431%0.314CS..EExtended strand (participates in β ladder)trans-98.3124.3169.5-175.6-179.1172.800107.8K32 R33 V35 R50 I52K32-E41 WeakPolarHBondContact CA-O 3.41Å; K32-E41 PolarHBondContact N-O 2.79Å; R33-E41 HydrophobicContact CB-CB 4.3Å; R33-E41 IonicContact CZ-OE2 2.83Å; R33-E41 PolarHBondContact N-O 3.21Å; R33-E41 VanDerWaalsContact N-O 3.09Å; R33-E41 IonicContact NE-OE2 2.67Å; R33-E41 PolarHBondContact NE-OE2 3.13Å; R33-E41 IonicContact NH2-OE2 3.04Å; R33-E41 PolarHBondContact NH2-OE2 3.22Å; R33-E41 PolarHBondContact O-N 3.12Å; V35-E41 HydrophobicContact CG2-CB 3.85Å; E41-R50 IonicContact OE1-CZ 3.5Å; E41-R50 IonicContact OE1-NE 2.73Å; E41-R50 IonicContact OE1-NH1 3.85Å; E41-R50 IonicContact OE1-NH2 2.85Å; E41-R50 PolarHBondContact OE1-NH2 2.94Å; E41-I52 HydrophobicContact CB-CG2 4.1Å; E41-I52 HydrophobicContact CG-CG2 4.3Å
42G91.1Very high84.7Confident0 Ų069.4 Ų69.40%033%0.327CS..EExtended strand (participates in β ladder)trans-145.9-179.1-179.600000114.2L30 R50 G51L30-G42 CarbonylContact O-C 3.52Å; L30-G42 WeakPolarHBondContact O-CA 3.21Å; G42-R50 WeakPolarHBondContact O-CA 3.42Å; G42-R50 WeakPolarHBondContact O-CG 3.33Å; G42-G51 PolarHBondContact N-O 3.04Å; G42-G51 PolarHBondContact O-N 3.49Å; G42-G51 VanDerWaalsContact O-O 3.14Å
43E92.5Very high84.7Confident41 Ų4166.7 Ų66.719%0.19232%0.315CS..EExtended strand (participates in β ladder)trans-137.4140.1-172.9-169.8-177.8163.700108.5L30 K32 G47 R49 R50L30-E43 PolarHBondContact N-O 3.21Å; L30-E43 PolarHBondContact O-N 2.79Å; K32-E43 HydrophobicContact CD-CB 4.15Å; K32-E43 WeakPolarHBondContact CE-OE2 3.37Å; K32-E43 HydrophobicContact CG-CB 4.17Å; K32-E43 IonicContact NZ-OE2 2.68Å; K32-E43 PolarHBondContact NZ-OE2 3.44Å; E43-G47 WeakPolarHBondContact OE1-CA 3.31Å; E43-R49 CarbonylContact C-O 3.57Å; E43-R49 WeakPolarHBondContact CA-O 3.34Å; E43-R50 HydrophobicContact CB-CG 4.3Å; E43-R50 HydrophobicContact CG-CB 4.34Å; E43-R50 HydrophobicContact CG-CG 4.46Å
44S89.9Confident85Confident8 Ų861.6 Ų61.66%0.05630%0.297CS..EExtended strand (participates in β ladder)trans-66.5153.9174.755.50000111D46 G47 R49S44-D46 VanDerWaalsContact CB-OD1 3.26Å; S44-D46 WeakPolarHBondContact CB-OD1 3.33Å; S44-D46 PolarHBondContact O-N 3.07Å; S44-D46 PolarHBondContact OG-OD1 3.3Å; S44-G47 WeakPolarHBondContact O-CA 3.29Å; S44-G47 PolarHBondContact O-N 3.33Å; S44-R49 PolarHBondContact N-O 3.13Å; S44-R49 WeakPolarHBondContact OG-CB 3.46Å; S44-R49 PolarHBondContact OG-N 3.25Å; S44-R49 PolarHBondContact OG-O 2.87Å
45L84.8Confident85.1Confident24 Ų2460 Ų6013%0.12629%0.294CS..THydrogen-bonded Turntrans-58.9-30.3-176.7-170.166.7000113.7M1 G47 I74 I91M1-L45 WeakPolarHBondContact CE-O 3.31Å; M1-L45 HydrophobicContact SD-CD1 4.21Å; L45-G47 VanDerWaalsContact C-N 3.25Å; L45-G47 PolarHBondContact O-N 3.12Å; L45-I74 HydrophobicContact CD1-CD1 3.62Å; L45-I74 HydrophobicContact CD1-CG1 4.1Å; L45-I74 HydrophobicContact CD1-CG2 4.31Å; L45-I91 HydrophobicContact CD2-CG2 3.53Å
46D81Confident85.7Confident94 Ų9463 Ų6350%0.50331%0.307SS..THydrogen-bonded Turntrans-78-5.6175.568.3-13.7000113.9S44 R48S44-D46 VanDerWaalsContact CB-OD1 3.26Å; S44-D46 WeakPolarHBondContact CB-OD1 3.33Å; S44-D46 PolarHBondContact O-N 3.07Å; S44-D46 PolarHBondContact OG-OD1 3.3Å; D46-R48 HydrophobicContact CB-CG 4.4Å; D46-R48 PolarHBondContact O-N 3.49Å; D46-R48 PolarHBondContact OD1-N 2.74Å; D46-R48 VanDerWaalsContact OD1-N 3.11Å; D46-R48 WeakPolarHBondContact OD2-CB 3.04Å; D46-R48 WeakPolarHBondContact OD2-CD 3.33Å; D46-R48 WeakPolarHBondContact OD2-CG 3.45Å
47G79.5Confident86.3Confident39 Ų3963.4 Ų63.440%0.40230%0.304SS..SBendtrans70.95.1-177.700000115E43 S44 L45E43-G47 WeakPolarHBondContact OE1-CA 3.31Å; S44-G47 WeakPolarHBondContact O-CA 3.29Å; S44-G47 PolarHBondContact O-N 3.33Å; L45-G47 VanDerWaalsContact C-N 3.25Å; L45-G47 PolarHBondContact O-N 3.12Å
48R82.8Confident87Confident217 Ų21757.1 Ų57.182%0.81927%0.271SS*.SBendtrans-84.3-27.2-174.7-65.9-171.9-178.9-125.51.7113.7D46D46-R48 HydrophobicContact CB-CG 4.4Å; D46-R48 PolarHBondContact O-N 3.49Å; D46-R48 PolarHBondContact OD1-N 2.74Å; D46-R48 VanDerWaalsContact OD1-N 3.11Å; D46-R48 WeakPolarHBondContact OD2-CB 3.04Å; D46-R48 WeakPolarHBondContact OD2-CD 3.33Å; D46-R48 WeakPolarHBondContact OD2-CG 3.45Å
49R86.8Confident87.9Confident107 Ų10756.2 Ų56.240%0.40427%0.266SS..  trans-121134.6-176.9-60.1178.9-74.1167-5.6109.5L21 Q22 D27 E43 S44L21-R49 HydrophobicContact CD1-CB 3.53Å; Q22-R49 PolarHBondContact O-NH1 3.44Å; D27-R49 IonicContact OD2-NH2 2.83Å; E43-R49 CarbonylContact C-O 3.57Å; E43-R49 WeakPolarHBondContact CA-O 3.34Å; S44-R49 PolarHBondContact N-O 3.13Å; S44-R49 WeakPolarHBondContact OG-CB 3.46Å; S44-R49 PolarHBondContact OG-N 3.25Å; S44-R49 PolarHBondContact OG-O 2.87Å
50R88.1Confident88Confident147 Ų14757.7 Ų57.756%0.55528%0.275SS*.EExtended strand (participates in β ladder)trans-141.8141.7177.8-170.7177-178.6-114.7-6.4109.3E41 G42 E43E41-R50 IonicContact OE1-CZ 3.5Å; E41-R50 IonicContact OE1-NE 2.73Å; E41-R50 IonicContact OE1-NH1 3.85Å; E41-R50 IonicContact OE1-NH2 2.85Å; E41-R50 PolarHBondContact OE1-NH2 2.94Å; G42-R50 WeakPolarHBondContact O-CA 3.42Å; G42-R50 WeakPolarHBondContact O-CG 3.33Å; E43-R50 HydrophobicContact CB-CG 4.3Å; E43-R50 HydrophobicContact CG-CB 4.34Å; E43-R50 HydrophobicContact CG-CG 4.46Å
51G90.7Very high87.7Confident8 Ų859.5 Ų59.58%0.08228%0.284CS..EExtended strand (participates in β ladder)trans172.8-177.5-179.500000112.8G19 G42G19-G51 CarbonylContact O-C 3.29Å; G19-G51 WeakPolarHBondContact O-CA 3.39Å; G42-G51 PolarHBondContact N-O 3.04Å; G42-G51 PolarHBondContact O-N 3.49Å; G42-G51 VanDerWaalsContact O-O 3.14Å
52I90.3Very high87.3Confident52 Ų5267.5 Ų67.527%0.26732%0.318SS..EExtended strand (participates in β ladder)trans-90.5151.7173.860.9172.6000111.1G19 D20 L21 V35 W39 F40 E41G19-I52 PolarHBondContact O-N 3.44Å; D20-I52 WeakPolarHBondContact CA-O 3.43Å; D20-I52 WeakPolarHBondContact OD1-CG1 3.5Å; L21-I52 PolarHBondContact N-O 3.43Å; V35-I52 HydrophobicContact CG2-CG2 4.13Å; W39-I52 HydrophobicContact CE3-CB 4.1Å; W39-I52 HydrophobicContact CE3-CD1 4.01Å; W39-I52 HydrophobicContact CE3-CG1 4.05Å; W39-I52 HydrophobicContact CZ3-CD1 4.2Å; W39-I52 HydrophobicContact CZ3-CG1 4.13Å; F40-I52 CarbonylContact O-C 3.55Å; F40-I52 VanDerWaalsContact O-CA 3.27Å; F40-I52 WeakPolarHBondContact O-CA 3.2Å; E41-I52 HydrophobicContact CB-CG2 4.1Å; E41-I52 HydrophobicContact CG-CG2 4.3Å
53F88.1Confident86.8Confident0 Ų070 Ų700%033%0.331CS..EExtended strand (participates in β ladder)trans-152.5158.1176.360.4-88.2000112.2F13 L21 F23 I29 I31 W39 F40 V58F13-F53 HydrophobicContact CD1-CB 4.35Å; F13-F53 HydrophobicContact CE1-CB 4.27Å; L21-F53 HydrophobicContact CB-CD1 4.18Å; L21-F53 HydrophobicContact CD2-CD1 3.87Å; L21-F53 HydrophobicContact CD2-CE1 4.13Å; F23-F53 HydrophobicContact CE1-CB 3.54Å; F23-F53 HydrophobicContact CE1-CD1 4.42Å; F23-F53 HydrophobicContact CE1-CD2 4.11Å; F23-F53 AromaticContact CE1-CG 3.77Å; F23-F53 HydrophobicContact CE1-CG 3.77Å; F23-F53 HydrophobicContact CZ-CB 4.1Å; F23-F53 HydrophobicContact CZ-CD2 4.23Å; F23-F53 HydrophobicContact CZ-CG 4.31Å; I29-F53 HydrophobicContact CG2-CD1 4.38Å; I29-F53 HydrophobicContact CG2-CE1 3.56Å; I29-F53 HydrophobicContact CG2-CZ 3.74Å; I31-F53 HydrophobicContact CG1-CZ 4.4Å; W39-F53 WeakPolarHBondContact CA-O 3.1Å; F40-F53 HydrophobicContact CB-CE1 4.19Å; F40-F53 HydrophobicContact CB-CE2 3.93Å; F40-F53 HydrophobicContact CB-CZ 3.71Å; F40-F53 HydrophobicContact CD2-CE2 4.47Å; F40-F53 PolarHBondContact N-O 2.56Å; F40-F53 WeakPolarHBondContact O-CD1 3.24Å; F40-F53 PolarHBondContact O-N 3.03Å; F53-V58 HydrophobicContact CD2-CG1 3.81Å; F53-V58 HydrophobicContact CD2-CG2 4.38Å; F53-V58 HydrophobicContact CE2-CB 4.34Å; F53-V58 HydrophobicContact CE2-CG1 3.67Å; F53-V58 HydrophobicContact CE2-CG2 3.72Å
54P89.3Confident86.1Confident12 Ų1270.3 Ų70.38%0.07834%0.337CS..EExtended strand (participates in β ladder)trans-71.6136.3179.9-16.130.9000112.6F13 D38 W39 N56 Y57F13-P54 HydrophobicContact CD2-CG 4.29Å; F13-P54 HydrophobicContact CE2-CG 3.77Å; F13-P54 HydrophobicContact CZ-CG 4.03Å; D38-P54 CarbonylContact O-C 3.51Å; D38-P54 VanDerWaalsContact O-CA 3.3Å; D38-P54 WeakPolarHBondContact O-CA 3.38Å; W39-P54 HydrophobicContact CE3-CG 4.48Å; W39-P54 HydrophobicContact CH2-CG 3.91Å; W39-P54 HydrophobicContact CZ2-CG 4.24Å; W39-P54 HydrophobicContact CZ3-CG 4.03Å; P54-N56 VanDerWaalsContact C-N 3.3Å; P54-N56 WeakPolarHBondContact CB-OD1 3.26Å; P54-N56 PolarHBondContact O-N 3.02Å; P54-Y57 HydrophobicContact CB-CD2 3.83Å; P54-Y57 HydrophobicContact CB-CE2 4.43Å; P54-Y57 HydrophobicContact CG-CD2 4.09Å; P54-Y57 HydrophobicContact CG-CE2 4.44Å; P54-Y57 PolarHBondContact O-N 2.94Å
55V86.6Confident85.3Confident36 Ų3679.9 Ų79.922%0.21838%0.377CS..G310 helixtrans-63.3-36.5-179.3176.60000111.7D38 F40 Y57 V58D38-V55 VanDerWaalsContact C-CG2 3.41Å; D38-V55 WeakPolarHBondContact O-CG2 3.24Å; D38-V55 PolarHBondContact O-N 2.84Å; F40-V55 HydrophobicContact CB-CG2 4.44Å; F40-V55 HydrophobicContact CD1-CG2 3.44Å; F40-V55 VanDerWaalsContact CD1-CG2 3.44Å; F40-V55 HydrophobicContact CD2-CG2 3.76Å; F40-V55 HydrophobicContact CE1-CG2 3.41Å; F40-V55 VanDerWaalsContact CE1-CG2 3.41Å; F40-V55 HydrophobicContact CE2-CB 4.41Å; F40-V55 HydrophobicContact CE2-CG1 3.89Å; F40-V55 HydrophobicContact CE2-CG2 3.75Å; F40-V55 HydrophobicContact CG-CG2 3.62Å; F40-V55 HydrophobicContact CZ-CB 4.43Å; F40-V55 HydrophobicContact CZ-CG1 3.9Å; F40-V55 HydrophobicContact CZ-CG2 3.57Å; V55-Y57 PolarHBondContact O-N 3.26Å; V55-V58 WeakPolarHBondContact O-CG2 3.33Å; V55-V58 PolarHBondContact O-N 2.97Å; V55-V58 VanDerWaalsContact O-O 3.06Å
56N88Confident84.7Confident115 Ų11582.3 Ų82.362%0.61539%0.39SS*.G310 helixtrans-70-11-178.864.5-35.5000114.6P54 V58P54-N56 VanDerWaalsContact C-N 3.3Å; P54-N56 WeakPolarHBondContact CB-OD1 3.26Å; P54-N56 PolarHBondContact O-N 3.02Å; N56-V58 VanDerWaalsContact C-N 3.33Å
57Y89.7Confident84.6Confident79 Ų7980.5 Ų80.531%0.3139%0.385SS..G310 helixtrans-86.6-8.8176.1-84.2-115.7000112.7L10 D12 F13 P54 V55L10-Y57 PolarHBondContact N-O 2.83Å; D12-Y57 WeakPolarHBondContact O-CE1 3.45Å; F13-Y57 HydrophobicContact CB-CD1 3.9Å; F13-Y57 HydrophobicContact CB-CE1 4.35Å; F13-Y57 HydrophobicContact CD2-CD1 4.05Å; F13-Y57 AromaticContact CD2-CE1 3.98Å; F13-Y57 HydrophobicContact CD2-CE1 3.98Å; F13-Y57 HydrophobicContact CG-CD1 4.35Å; P54-Y57 HydrophobicContact CB-CD2 3.83Å; P54-Y57 HydrophobicContact CB-CE2 4.43Å; P54-Y57 HydrophobicContact CG-CD2 4.09Å; P54-Y57 HydrophobicContact CG-CE2 4.44Å; P54-Y57 PolarHBondContact O-N 2.94Å; V55-Y57 PolarHBondContact O-N 3.26Å
58V90.8Very high84.1Confident12 Ų1285.1 Ų85.17%0.07341%0.408CS..EExtended strand (participates in β ladder)trans-128.2154.9-174.3-53.50000111.1A7 R8 F23 I29 F53 V55 N56A7-V58 HydrophobicContact CB-CB 3.9Å; A7-V58 HydrophobicContact CB-CG2 3.76Å; R8-V58 CarbonylContact O-C 3.55Å; R8-V58 VanDerWaalsContact O-CA 3.26Å; R8-V58 WeakPolarHBondContact O-CA 3.44Å; F23-V58 HydrophobicContact CE2-CG1 4.19Å; F23-V58 HydrophobicContact CZ-CG1 3.86Å; I29-V58 HydrophobicContact CD1-CG1 3.96Å; F53-V58 HydrophobicContact CD2-CG1 3.81Å; F53-V58 HydrophobicContact CD2-CG2 4.38Å; F53-V58 HydrophobicContact CE2-CB 4.34Å; F53-V58 HydrophobicContact CE2-CG1 3.67Å; F53-V58 HydrophobicContact CE2-CG2 3.72Å; V55-V58 WeakPolarHBondContact O-CG2 3.33Å; V55-V58 PolarHBondContact O-N 2.97Å; V55-V58 VanDerWaalsContact O-O 3.06Å; N56-V58 VanDerWaalsContact C-N 3.33Å
59L91.5Very high83.8Confident91 Ų9181.8 Ų81.848%0.47641%0.406SS..EExtended strand (participates in β ladder)trans-102.9114.7167.3-179.163.6000108.3A7 R8 L10 E61A7-L59 CarbonylContact C-O 3.6Å; A7-L59 VanDerWaalsContact CA-O 3.23Å; A7-L59 WeakPolarHBondContact CA-O 3.23Å; R8-L59 PolarHBondContact N-O 2.91Å; R8-L59 PolarHBondContact O-N 3.12Å; L10-L59 HydrophobicContact CD1-CB 4.23Å; L10-L59 HydrophobicContact CD2-CB 4.02Å; L10-L59 HydrophobicContact CG-CB 4.1Å; L59-E61 PolarHBondContact O-N 3.23Å
60E88.4Confident83.9Confident82 Ų8277.9 Ų77.938%0.38339%0.393SS..EExtended strand (participates in β ladder)trans-68.8118.7172.7-172.5173.4179.900109.5I31 K34I31-E60 HydrophobicContact CD1-CG 4.1Å; K34-E60 WeakPolarHBondContact CE-OE1 3.34Å; K34-E60 IonicContact NZ-OE1 3.46Å; K34-E60 PolarHBondContact NZ-OE1 3.36Å; K34-E60 IonicContact NZ-OE2 3.09Å; K34-E60 PolarHBondContact NZ-OE2 2.76Å; K34-E60 VanDerWaalsContact NZ-OE2 3.08Å
61E83.1Confident83.7Confident50 Ų5072.9 Ų72.923%0.23438%0.38CS..EExtended strand (participates in β ladder)trans-77.1130.2-179.1-69.3-66.6161.200110.3V6 R8 L59 L63V6-E61 PolarHBondContact O-N 3.23Å; R8-E61 IonicContact CZ-OE1 3.93Å; R8-E61 IonicContact NE-OE1 3.69Å; R8-E61 PolarHBondContact NE-OE1 3.47Å; R8-E61 VanDerWaalsContact NH2-CD 3.3Å; R8-E61 IonicContact NH2-OE1 3.71Å; R8-E61 PolarHBondContact NH2-OE1 2.84Å; R8-E61 IonicContact NH2-OE2 3.78Å; L59-E61 PolarHBondContact O-N 3.23Å; E61-L63 PolarHBondContact O-N 3Å; E61-L63 VanDerWaalsContact O-N 3.14Å
62K79.8Confident83.7Confident203 Ų20373.2 Ų73.288%0.88338%0.38SS*.  trans-74108.1177.4-69.9-177.9-178.3175.80109.8
63L80.4Confident83.7Confident52 Ų5270.9 Ų70.927%0.27237%0.368SS..PPolyproline II helixtrans-66.1133.8178.6-59.9177.4000111.2V6 E61 V94 L125 V127V6-L63 HydrophobicContact CB-CD2 4.36Å; V6-L63 HydrophobicContact CG2-CD2 4.04Å; E61-L63 PolarHBondContact O-N 3Å; E61-L63 VanDerWaalsContact O-N 3.14Å; L63-V94 HydrophobicContact CD2-CG1 3.96Å; L63-V94 HydrophobicContact CD2-CG2 4.26Å; L63-L125 HydrophobicContact CD2-CD2 4.22Å; L63-V127 HydrophobicContact CD1-CG1 4.07Å; L63-V127 HydrophobicContact CD1-CG2 3.65Å
64P77.7Confident83.9Confident49 Ų4970.9 Ų70.932%0.31837%0.368SS..PPolyproline II helixtrans-66.3147.6-179.925-33.4000112.2L66 L72 V94 V96P64-L66 PolarHBondContact O-N 2.64Å; P64-L72 HydrophobicContact CG-CD2 3.84Å; P64-V94 HydrophobicContact CG-CG1 4.35Å; P64-V96 HydrophobicContact CB-CG2 3.73Å; P64-V96 HydrophobicContact CG-CG2 3.49Å; P64-V96 VanDerWaalsContact CG-CG2 3.49Å
65K73.6Confident84Confident208 Ų20870.3 Ų70.390%0.90436%0.364SS*.PPolyproline II helixtrans-73122.9174.1-66.6179.9-178.1177.70109.6
66L73.2Confident84.1Confident75 Ų7570.3 Ų70.339%0.39336%0.364SS..PPolyproline II helixtrans-87141.7-179.9-68.1172.3000111.8P64 D70 L72 V96P64-L66 PolarHBondContact O-N 2.64Å; L66-D70 HydrophobicContact CB-CB 4.26Å; L66-D70 HydrophobicContact CD2-CB 3.59Å; L66-L72 HydrophobicContact CD1-CB 4.26Å; L66-L72 HydrophobicContact CD1-CD1 3.61Å; L66-L72 HydrophobicContact CD1-CG 3.74Å; L66-L72 HydrophobicContact CD2-CG 4.03Å; L66-L72 HydrophobicContact CG-CD1 4.09Å; L66-L72 HydrophobicContact CG-CG 4.05Å; L66-V96 HydrophobicContact CD2-CG1 3.83Å; L66-V96 HydrophobicContact CD2-CG2 4.39Å
67S77.7Confident84Confident56 Ų5668.4 Ų68.439%0.39235%0.354SS..PPolyproline II helixtrans-79.5164.5161.280.30000110.3N69 D70S67-N69 PolarHBondContact O-N 2.95Å; S67-D70 VanDerWaalsContact CB-OD2 3.32Å; S67-D70 WeakPolarHBondContact CB-OD2 3.25Å; S67-D70 PolarHBondContact N-OD2 2.82Å; S67-D70 PolarHBondContact O-N 2.85Å; S67-D70 PolarHBondContact OG-OD1 2.71Å; S67-D70 PolarHBondContact OG-OD2 3.01Å
68P69.8Low84.1Confident136 Ų13668.7 Ų68.788%0.88336%0.361SS*.THydrogen-bonded Turntrans-56-28.7-171.9-25.333.4000115.3
69N76.4Confident84.1Confident148 Ų14869 Ų6979%0.79136%0.362SS*.THydrogen-bonded Turntrans-101.31.4-178.8-74.68.2000113.4S67S67-N69 PolarHBondContact O-N 2.95Å
70D88Confident84Confident25 Ų2569.9 Ų69.913%0.13437%0.367CS..  trans-90.1152.8178.6-62.3-26.5000110.8L66 S67 V96 G97 K98L66-D70 HydrophobicContact CB-CB 4.26Å; L66-D70 HydrophobicContact CD2-CB 3.59Å; S67-D70 VanDerWaalsContact CB-OD2 3.32Å; S67-D70 WeakPolarHBondContact CB-OD2 3.25Å; S67-D70 PolarHBondContact N-OD2 2.82Å; S67-D70 PolarHBondContact O-N 2.85Å; S67-D70 PolarHBondContact OG-OD1 2.71Å; S67-D70 PolarHBondContact OG-OD2 3.01Å; D70-V96 HydrophobicContact CB-CG1 3.81Å; D70-G97 WeakPolarHBondContact CA-O 3.28Å; D70-K98 VanDerWaalsContact CG-NZ 3.32Å; D70-K98 WeakPolarHBondContact OD1-CD 3.27Å; D70-K98 IonicContact OD1-NZ 2.74Å; D70-K98 PolarHBondContact OD1-NZ 2.7Å; D70-K98 IonicContact OD2-NZ 2.83Å; D70-K98 PolarHBondContact OD2-NZ 3.46Å
71C85.5Confident83.9Confident42 Ų4267.9 Ų67.928%0.28436%0.364SS..EExtended strand (participates in β ladder)trans-123.9154.5170.963.80000111.2G97 W106C71-G97 PolarHBondContact N-O 3.3Å; C71-G97 PolarHBondContact O-N 2.9Å; C71-G97 PolarHBondContact SG-O 2.88Å; C71-W106 WeakPolarHBondContact SG-CH2 3.23Å; C71-W106 VanDerWaalsContact SG-CZ3 3.53Å
72L89Confident84Confident15 Ų1573.6 Ų73.68%0.07939%0.391CS..EExtended strand (participates in β ladder)trans-88.3127.5171.6-91.9155000109.2P64 L66 V94 L125 V127P64-L72 HydrophobicContact CG-CD2 3.84Å; L66-L72 HydrophobicContact CD1-CB 4.26Å; L66-L72 HydrophobicContact CD1-CD1 3.61Å; L66-L72 HydrophobicContact CD1-CG 3.74Å; L66-L72 HydrophobicContact CD2-CG 4.03Å; L66-L72 HydrophobicContact CG-CD1 4.09Å; L66-L72 HydrophobicContact CG-CG 4.05Å; L72-V94 HydrophobicContact CD2-CG1 3.22Å; L72-L125 HydrophobicContact CB-CB 4.18Å; L72-L125 WeakPolarHBondContact CB-O 3.36Å; L72-L125 PolarHBondContact O-N 3.17Å; L72-V127 HydrophobicContact CD1-CG2 3.57Å
73L91.2Very high84.2Confident2 Ų267.1 Ų67.11%0.0137%0.369CS..EExtended strand (participates in β ladder)trans-121144.7176.3-60.3173.2000108V94 I95 W106 F117 V122 Q123 P124L73-V94 CarbonylContact O-C 3.57Å; L73-I95 HydrophobicContact CB-CB 4.34Å; L73-I95 PolarHBondContact N-O 2.9Å; L73-I95 PolarHBondContact O-N 3.46Å; L73-W106 HydrophobicContact CD1-CD2 3.82Å; L73-W106 HydrophobicContact CD1-CE3 3.88Å; L73-W106 HydrophobicContact CD1-CG 4.2Å; L73-W106 HydrophobicContact CD1-CZ3 4.3Å; L73-F117 HydrophobicContact CD1-CE2 4.07Å; L73-F117 HydrophobicContact CD1-CZ 3.97Å; L73-V122 HydrophobicContact CB-CB 4.22Å; L73-V122 HydrophobicContact CD1-CG2 4.23Å; L73-Q123 WeakPolarHBondContact CA-O 3.39Å; L73-P124 HydrophobicContact CD2-CG 4.43Å
74I91.7Very high84.1Confident0 Ų071.5 Ų71.50%040%0.4CS..EExtended strand (participates in β ladder)trans-117.1132.6170.7-169.6164.5000109.2M1 V6 V28 L30 L45 V76 D93 V122 Q123 L125M1-I74 HydrophobicContact SD-CG2 4.08Å; V6-I74 HydrophobicContact CG1-CD1 4.22Å; V6-I74 HydrophobicContact CG2-CD1 4.46Å; V28-I74 HydrophobicContact CG1-CD1 4.28Å; L30-I74 HydrophobicContact CD2-CD1 4.05Å; L45-I74 HydrophobicContact CD1-CD1 3.62Å; L45-I74 HydrophobicContact CD1-CG1 4.1Å; L45-I74 HydrophobicContact CD1-CG2 4.31Å; I74-V76 PolarHBondContact O-N 3.14Å; I74-D93 WeakPolarHBondContact CA-O 3.34Å; I74-V122 CarbonylContact O-C 3.46Å; I74-V122 VanDerWaalsContact O-CA 3.26Å; I74-V122 WeakPolarHBondContact O-CA 3.38Å; I74-Q123 HydrophobicContact CG2-CB 4.24Å; I74-Q123 PolarHBondContact N-O 3.13Å; I74-Q123 PolarHBondContact O-N 3.29Å; I74-L125 HydrophobicContact CG2-CB 4.48Å
75A91Very high84.4Confident0 Ų071.9 Ų71.90%041%0.407CS..EExtended strand (participates in β ladder)trans-71.9125.8176.800000110.6I89 H90 G92 D93 I95 Y121A75-I89 HydrophobicContact CB-CB 4.38Å; A75-I89 HydrophobicContact CB-CD1 4.28Å; A75-H90 WeakPolarHBondContact CB-O 3.35Å; A75-G92 PolarHBondContact O-N 3.49Å; A75-D93 HydrophobicContact CB-CB 4.27Å; A75-D93 PolarHBondContact N-O 2.71Å; A75-I95 HydrophobicContact CB-CD1 4.07Å; A75-Y121 WeakPolarHBondContact CA-O 3.41Å
76V89.1Confident85.2Confident36 Ų3663.1 Ų63.122%0.21837%0.371CS..SBendtrans-101.1-20.1175.8-66.30000112.1M1 I74 I91 Y121 Q123M1-V76 HydrophobicContact CE-CG1 4.47Å; I74-V76 PolarHBondContact O-N 3.14Å; V76-I91 WeakPolarHBondContact O-CG1 3.46Å; V76-Y121 WeakPolarHBondContact CG2-O 3.46Å; V76-Y121 PolarHBondContact N-O 3.04Å; V76-Q123 HydrophobicContact CG1-CB 4.03Å
77N87.2Confident86.1Confident75 Ų7560 Ų6040%0.40135%0.354SS..SBendtrans-132.2152.1177-69.113.7000110.5Y121N77-Y121 HydrophobicContact CB-CD1 3.51Å; N77-Y121 HydrophobicContact CB-CE1 3.99Å; N77-Y121 HydrophobicContact CB-CG 3.89Å; N77-Y121 PolarHBondContact N-O 2.9Å
78N90.9Very high86.7Confident85 Ų8559.6 Ų59.646%0.45535%0.351SS..  trans-75.8139.2172.2-63.2-36.7000110.7I89 H90 I91 Y121N78-I89 CarbonylContact C-O 3.56Å; N78-I89 WeakPolarHBondContact CA-O 3.21Å; N78-H90 WeakPolarHBondContact OD1-CA 3.44Å; N78-I91 WeakPolarHBondContact OD1-CG1 3.48Å; N78-I91 PolarHBondContact OD1-N 3.43Å; N78-Y121 WeakPolarHBondContact O-CD1 3.35Å; N78-Y121 WeakPolarHBondContact O-CE1 3.17Å
79F90.3Very high87.9Confident19 Ų1953.1 Ų53.18%0.08331%0.309CS..BIsolated β-bridgetrans-138.1122.9171168.4-103.5000109.4D86 L87 S88 I89 W105 F117 P118 Y121F79-D86 HydrophobicContact CE1-CB 4.04Å; F79-D86 HydrophobicContact CZ-CB 4.25Å; F79-L87 WeakPolarHBondContact CD1-O 3.5Å; F79-S88 CarbonylContact O-C 3.58Å; F79-S88 WeakPolarHBondContact O-CA 3.41Å; F79-I89 HydrophobicContact CB-CD1 4.31Å; F79-I89 HydrophobicContact CB-CG1 3.73Å; F79-I89 HydrophobicContact CD1-CG1 4.39Å; F79-I89 PolarHBondContact N-O 2.92Å; F79-I89 PolarHBondContact O-N 2.89Å; F79-W105 HydrophobicContact CE1-CZ3 4.5Å; F79-W105 HydrophobicContact CE2-CH2 4.42Å; F79-W105 HydrophobicContact CZ-CH2 4.04Å; F79-W105 HydrophobicContact CZ-CZ3 4.03Å; F79-F117 HydrophobicContact CD1-CB 4.09Å; F79-F117 HydrophobicContact CE1-CB 4.3Å; F79-P118 HydrophobicContact CD2-CG 3.85Å; F79-P118 HydrophobicContact CE2-CG 3.92Å; F79-P118 HydrophobicContact CG-CG 4.25Å; F79-P118 HydrophobicContact CZ-CG 4.38Å; F79-Y121 HydrophobicContact CB-CD1 3.72Å; F79-Y121 HydrophobicContact CB-CE1 4.04Å
80D90.8Very high88.5Confident109 Ų10950.5 Ų50.558%0.58329%0.292SS*.  trans-93.1125.8175.9-63.5-54.9000109.9Q82D80-Q82 PolarHBondContact O-N 2.93Å
81A86.4Confident88.6Confident40 Ų4053.4 Ų53.433%0.33131%0.307SS..  trans-56.7121.4176.900000110.9D86 S88A81-D86 HydrophobicContact CB-CB 3.67Å; A81-S88 VanDerWaalsContact CB-OG 3.23Å; A81-S88 WeakPolarHBondContact CB-OG 3.33Å; A81-S88 PolarHBondContact N-OG 3.29Å
82Q84.8Confident88.6Confident171 Ų17151.9 Ų51.980%0.79930%0.299SS*.SBendtrans-93-28.1178-62.7-178.61.600111.3D80 D86D80-Q82 PolarHBondContact O-N 2.93Å; Q82-D86 PolarHBondContact N-OD2 3.34Å
83T82.6Confident88.7Confident67 Ų6751.9 Ų51.941%0.41130%0.299SS..SBendtrans-119.9156.6176.774.30000110.5A85 D86T83-A85 PolarHBondContact O-N 3.06Å; T83-A85 VanDerWaalsContact O-N 3.1Å; T83-A85 PolarHBondContact OG1-N 2.98Å; T83-D86 WeakPolarHBondContact CB-OD2 3.35Å; T83-D86 PolarHBondContact N-OD2 3.28Å; T83-D86 WeakPolarHBondContact O-CB 3.48Å; T83-D86 PolarHBondContact O-N 3.14Å; T83-D86 PolarHBondContact OG1-N 3.43Å; T83-D86 PolarHBondContact OG1-OD1 3.04Å; T83-D86 PolarHBondContact OG1-OD2 3.27Å
84P80.1Confident88.6Confident144 Ų14453 Ų5394%0.93531%0.305SS*.THydrogen-bonded Turntrans-65.4-10.9176.126.7-35.5000113.8
85A83.3Confident88.6Confident57 Ų5753 Ų5347%0.47131%0.305SS..THydrogen-bonded Turntrans-86.8-14.3172.900000112.7T83 G115 L116T83-A85 PolarHBondContact O-N 3.06Å; T83-A85 VanDerWaalsContact O-N 3.1Å; T83-A85 PolarHBondContact OG1-N 2.98Å; A85-G115 CarbonylContact O-C 3.49Å; A85-G115 WeakPolarHBondContact O-CA 3.43Å; A85-L116 PolarHBondContact O-N 2.83Å
86D90.7Very high88.6Confident24 Ų2453.7 Ų53.713%0.12831%0.309CS..BIsolated β-bridgetrans-83.8153.9178.8-59.6-32.6000111F79 A81 Q82 T83 L116F79-D86 HydrophobicContact CE1-CB 4.04Å; F79-D86 HydrophobicContact CZ-CB 4.25Å; A81-D86 HydrophobicContact CB-CB 3.67Å; Q82-D86 PolarHBondContact N-OD2 3.34Å; T83-D86 WeakPolarHBondContact CB-OD2 3.35Å; T83-D86 PolarHBondContact N-OD2 3.28Å; T83-D86 WeakPolarHBondContact O-CB 3.48Å; T83-D86 PolarHBondContact O-N 3.14Å; T83-D86 PolarHBondContact OG1-N 3.43Å; T83-D86 PolarHBondContact OG1-OD1 3.04Å; T83-D86 PolarHBondContact OG1-OD2 3.27Å; D86-L116 CarbonylContact C-O 3.56Å; D86-L116 WeakPolarHBondContact CA-O 3.45Å
87L91Very high88.6Confident8 Ų852 Ų524%0.04230%0.299CS..  trans-112.1115.9176.2-174.965.8000108.8F79 I89 L110 K113 L116 F117F79-L87 WeakPolarHBondContact CD1-O 3.5Å; L87-I89 HydrophobicContact CD2-CG2 4.39Å; L87-I89 HydrophobicContact CG-CG2 4.25Å; L87-I89 PolarHBondContact O-N 3.43Å; L87-L110 HydrophobicContact CD1-CB 4.45Å; L87-L110 HydrophobicContact CD2-CB 3.92Å; L87-L110 HydrophobicContact CG-CB 4.47Å; L87-K113 HydrophobicContact CD1-CB 3.74Å; L87-L116 PolarHBondContact N-O 3.34Å; L87-F117 HydrophobicContact CB-CD1 4.22Å; L87-F117 HydrophobicContact CD2-CD1 3.97Å; L87-F117 HydrophobicContact CD2-CE1 4.09Å
88S91.8Very high88.6Confident49 Ų4951 Ų5134%0.34329%0.291SS..  trans-66.4131.2171.7-56.50000110F79 A81F79-S88 CarbonylContact O-C 3.58Å; F79-S88 WeakPolarHBondContact O-CA 3.41Å; A81-S88 VanDerWaalsContact CB-OG 3.23Å; A81-S88 WeakPolarHBondContact CB-OG 3.33Å; A81-S88 PolarHBondContact N-OG 3.29Å
89I93.4Very high88.4Confident0 Ų050 Ų500%029%0.288CS..BIsolated β-bridgetrans-130.7140.1179.657.4168.1000109.4A75 N78 F79 L87 I95 L110 F117 V122A75-I89 HydrophobicContact CB-CB 4.38Å; A75-I89 HydrophobicContact CB-CD1 4.28Å; N78-I89 CarbonylContact C-O 3.56Å; N78-I89 WeakPolarHBondContact CA-O 3.21Å; F79-I89 HydrophobicContact CB-CD1 4.31Å; F79-I89 HydrophobicContact CB-CG1 3.73Å; F79-I89 HydrophobicContact CD1-CG1 4.39Å; F79-I89 PolarHBondContact N-O 2.92Å; F79-I89 PolarHBondContact O-N 2.89Å; L87-I89 HydrophobicContact CD2-CG2 4.39Å; L87-I89 HydrophobicContact CG-CG2 4.25Å; L87-I89 PolarHBondContact O-N 3.43Å; I89-I95 HydrophobicContact CB-CD1 4.02Å; I89-I95 HydrophobicContact CD1-CD1 4.18Å; I89-I95 HydrophobicContact CG2-CD1 3.54Å; I89-I95 HydrophobicContact CG2-CG1 4.17Å; I89-L110 HydrophobicContact CG2-CD2 4.18Å; I89-F117 HydrophobicContact CD1-CB 3.93Å; I89-F117 HydrophobicContact CD1-CD2 4.04Å; I89-F117 HydrophobicContact CD1-CG 4.12Å; I89-F117 HydrophobicContact CG1-CB 4.39Å; I89-F117 HydrophobicContact CG2-CB 4.49Å; I89-F117 HydrophobicContact CG2-CD1 4.46Å; I89-F117 HydrophobicContact CG2-CG 4.44Å; I89-V122 HydrophobicContact CD1-CG1 3.88Å
90H90.6Very high88.1Confident93 Ų9355.2 Ų55.243%0.43131%0.307SS..  trans-115.2153176.6-62.683.6000110.8A75 N78 G92 D93A75-H90 WeakPolarHBondContact CB-O 3.35Å; N78-H90 WeakPolarHBondContact OD1-CA 3.44Å; H90-G92 PolarHBondContact O-N 3.02Å; H90-D93 PolarHBondContact N-OD2 3.45Å; H90-D93 IonicContact ND1-OD2 2.92Å; H90-D93 VanDerWaalsContact O-CB 3.27Å; H90-D93 WeakPolarHBondContact O-CB 3.35Å; H90-D93 PolarHBondContact O-N 3.25Å
91I89.2Confident87.6Confident85 Ų8554 Ų5444%0.43630%0.303SS..THydrogen-bonded Turntrans-50.1126178.1-64.6177.6000109.7L45 V76 N78L45-I91 HydrophobicContact CD2-CG2 3.53Å; V76-I91 WeakPolarHBondContact O-CG1 3.46Å; N78-I91 WeakPolarHBondContact OD1-CG1 3.48Å; N78-I91 PolarHBondContact OD1-N 3.43Å
92G86.5Confident87.4Confident11 Ų1155.6 Ų55.611%0.11331%0.306CS..THydrogen-bonded Turntrans91.6-9.3-179.400000115.7A75 H90 V94A75-G92 PolarHBondContact O-N 3.49Å; H90-G92 PolarHBondContact O-N 3.02Å; G92-V94 PolarHBondContact O-N 3.25Å
93D89.7Confident87Confident15 Ų1552 Ų528%0.0830%0.296CS..  trans-61.8133.2174.4-80.7-33.6000110.9I74 A75 H90 I95 L110 Y111I74-D93 WeakPolarHBondContact CA-O 3.34Å; A75-D93 HydrophobicContact CB-CB 4.27Å; A75-D93 PolarHBondContact N-O 2.71Å; H90-D93 PolarHBondContact N-OD2 3.45Å; H90-D93 IonicContact ND1-OD2 2.92Å; H90-D93 VanDerWaalsContact O-CB 3.27Å; H90-D93 WeakPolarHBondContact O-CB 3.35Å; H90-D93 PolarHBondContact O-N 3.25Å; D93-I95 HydrophobicContact CB-CG1 4.37Å; D93-L110 HydrophobicContact CB-CD1 4.04Å; D93-L110 HydrophobicContact CB-CD2 3.94Å; D93-L110 WeakPolarHBondContact OD2-CD2 3.24Å; D93-Y111 PolarHBondContact OD1-OH 3.25Å
94V89.7Confident87.1Confident24 Ų2452.6 Ų52.615%0.14530%0.297CS..EExtended strand (participates in β ladder)trans-95.6109.5176.2-179.70000108.9V6 L63 P64 L72 L73 G92 L110V6-V94 HydrophobicContact CG1-CG2 4.4Å; V6-V94 HydrophobicContact CG2-CG2 4.39Å; L63-V94 HydrophobicContact CD2-CG1 3.96Å; L63-V94 HydrophobicContact CD2-CG2 4.26Å; P64-V94 HydrophobicContact CG-CG1 4.35Å; L72-V94 HydrophobicContact CD2-CG1 3.22Å; L73-V94 CarbonylContact O-C 3.57Å; G92-V94 PolarHBondContact O-N 3.25Å; V94-L110 WeakPolarHBondContact O-CD1 3.4Å
95I91.6Very high87.5Confident0 Ų049.7 Ų49.70%027%0.268CS..EExtended strand (participates in β ladder)trans-108.5138.5-170.4-55.1151.1000109.5L73 A75 I89 D93 G97 L110 F117 V122L73-I95 HydrophobicContact CB-CB 4.34Å; L73-I95 PolarHBondContact N-O 2.9Å; L73-I95 PolarHBondContact O-N 3.46Å; A75-I95 HydrophobicContact CB-CD1 4.07Å; I89-I95 HydrophobicContact CB-CD1 4.02Å; I89-I95 HydrophobicContact CD1-CD1 4.18Å; I89-I95 HydrophobicContact CG2-CD1 3.54Å; I89-I95 HydrophobicContact CG2-CG1 4.17Å; D93-I95 HydrophobicContact CB-CG1 4.37Å; I95-G97 PolarHBondContact O-N 2.91Å; I95-L110 HydrophobicContact CG1-CB 4.42Å; I95-L110 HydrophobicContact CG1-CD1 4.22Å; I95-L110 HydrophobicContact CG1-CD2 4.4Å; I95-F117 HydrophobicContact CG2-CE1 3.69Å; I95-F117 HydrophobicContact CG2-CZ 3.63Å; I95-V122 HydrophobicContact CD1-CG1 3.79Å
96V91Very high87.9Confident15 Ų1548.7 Ų48.79%0.09125%0.252CS..EExtended strand (participates in β ladder)trans-86101.5171.1-179.10000108.7P64 L66 D70 K98 G108 E109P64-V96 HydrophobicContact CB-CG2 3.73Å; P64-V96 HydrophobicContact CG-CG2 3.49Å; P64-V96 VanDerWaalsContact CG-CG2 3.49Å; L66-V96 HydrophobicContact CD2-CG1 3.83Å; L66-V96 HydrophobicContact CD2-CG2 4.39Å; D70-V96 HydrophobicContact CB-CG1 3.81Å; V96-K98 HydrophobicContact CG1-CD 4.09Å; V96-K98 PolarHBondContact O-N 3.22Å; V96-G108 CarbonylContact O-C 3.58Å; V96-G108 WeakPolarHBondContact O-CA 3.13Å; V96-E109 HydrophobicContact CB-CB 4.41Å; V96-E109 PolarHBondContact N-O 2.88Å; V96-E109 PolarHBondContact O-N 2.92Å
97G88.6Confident87.8Confident0 Ų053.5 Ų53.50%027%0.268CS..EExtended strand (participates in β ladder)trans-71.9112.5174.300000110.8D70 C71 I95D70-G97 WeakPolarHBondContact CA-O 3.28Å; C71-G97 PolarHBondContact N-O 3.3Å; C71-G97 PolarHBondContact O-N 2.9Å; C71-G97 PolarHBondContact SG-O 2.88Å; I95-G97 PolarHBondContact O-N 2.91Å
98K88Confident87.9Confident56 Ų5653.1 Ų53.124%0.24327%0.266CS..EExtended strand (participates in β ladder)trans-87.6-46.3-178.1-63.4-58.8-173.9175.80112.2D70 V96 R107 E109D70-K98 VanDerWaalsContact CG-NZ 3.32Å; D70-K98 WeakPolarHBondContact OD1-CD 3.27Å; D70-K98 IonicContact OD1-NZ 2.74Å; D70-K98 PolarHBondContact OD1-NZ 2.7Å; D70-K98 IonicContact OD2-NZ 2.83Å; D70-K98 PolarHBondContact OD2-NZ 3.46Å; V96-K98 HydrophobicContact CG1-CD 4.09Å; V96-K98 PolarHBondContact O-N 3.22Å; K98-R107 PolarHBondContact N-O 3.17Å; K98-E109 WeakPolarHBondContact CE-OE2 3.41Å
99T85.8Confident87.8Confident62 Ų6252.6 Ų52.638%0.3826%0.258SS..EExtended strand (participates in β ladder)trans-156.1132.9-178.1-38.40000109V101 R107T99-V101 PolarHBondContact O-N 3.43Å; T99-R107 PolarHBondContact N-O 3.5Å; T99-R107 PolarHBondContact O-N 2.81Å; T99-R107 PolarHBondContact OG1-NH2 2.78Å
100R83.5Confident87.7Confident129 Ų12953.1 Ų53.149%0.48726%0.261SS..EExtended strand (participates in β ladder)trans-78.6114.1168.1-170.1164.2-173.3168.11.9107.9D102 T103 W106R100-D102 WeakPolarHBondContact CG-O 3.4Å; R100-D102 PolarHBondContact NE-O 2.96Å; R100-D102 VanDerWaalsContact NE-O 3.15Å; R100-T103 PolarHBondContact NH2-O 3.12Å; R100-W106 HydrophobicContact CB-CD2 3.93Å; R100-W106 HydrophobicContact CB-CE3 4.08Å; R100-W106 HydrophobicContact CB-CH2 3.9Å; R100-W106 HydrophobicContact CB-CZ2 3.75Å; R100-W106 HydrophobicContact CB-CZ3 4.06Å; R100-W106 HydrophobicContact CG-CD2 4.17Å; R100-W106 HydrophobicContact CG-CG 4.46Å; R100-W106 HydrophobicContact CG-CZ2 4.08Å
101V81.4Confident87.3Confident83 Ų8356.1 Ų56.150%0.50327%0.269SS..  trans-71.1-47.1-175.9-179.60000109.3T99 W105 R107 L116T99-V101 PolarHBondContact O-N 3.43Å; V101-W105 HydrophobicContact CB-CB 4.27Å; V101-W105 PolarHBondContact N-O 3.01Å; V101-R107 HydrophobicContact CG2-CB 4.02Å; V101-L116 HydrophobicContact CG2-CD2 3.66Å
102D82.7Confident87Confident74 Ų7459.2 Ų59.240%0.39629%0.287SS..SBendtrans-153.1-164.3175.964.626.8000111.3R100 N104 W105R100-D102 WeakPolarHBondContact CG-O 3.4Å; R100-D102 PolarHBondContact NE-O 2.96Å; R100-D102 VanDerWaalsContact NE-O 3.15Å; D102-N104 PolarHBondContact O-N 2.9Å; D102-N104 WeakPolarHBondContact OD1-CA 3.38Å; D102-N104 PolarHBondContact OD1-N 2.94Å; D102-W105 PolarHBondContact N-O 2.78Å; D102-W105 PolarHBondContact OD1-N 2.93Å
103T76.9Confident87Confident95 Ų9565.9 Ų65.958%0.58331%0.313SS*.SBendtrans-61.3-30.4177.951.70000113.1R100 A119R100-T103 PolarHBondContact NH2-O 3.12Å; T103-A119 WeakPolarHBondContact O-CB 3.47Å
104N84.5Confident87Confident80 Ų8073.5 Ų73.543%0.42834%0.34SS..SBendtrans-107.4-18.6-167.8-60.1-19.4000113.4D102 P118 A119D102-N104 PolarHBondContact O-N 2.9Å; D102-N104 WeakPolarHBondContact OD1-CA 3.38Å; D102-N104 PolarHBondContact OD1-N 2.94Å; N104-P118 CarbonylContact O-C 3.56Å; N104-P118 VanDerWaalsContact O-CA 3.29Å; N104-P118 WeakPolarHBondContact O-CA 3.27Å; N104-A119 WeakPolarHBondContact O-CB 3.22Å; N104-A119 PolarHBondContact O-N 2.89Å
105W88.4Confident87Confident84 Ų8472.7 Ų72.732%0.31834%0.337SS..EExtended strand (participates in β ladder)trans-129.4138.5-172.8-70.397.4000113.3F79 V101 D102 L116 P118F79-W105 HydrophobicContact CE1-CZ3 4.5Å; F79-W105 HydrophobicContact CE2-CH2 4.42Å; F79-W105 HydrophobicContact CZ-CH2 4.04Å; F79-W105 HydrophobicContact CZ-CZ3 4.03Å; V101-W105 HydrophobicContact CB-CB 4.27Å; V101-W105 PolarHBondContact N-O 3.01Å; D102-W105 PolarHBondContact N-O 2.78Å; D102-W105 PolarHBondContact OD1-N 2.93Å; W105-L116 HydrophobicContact CE3-CB 3.97Å; W105-L116 HydrophobicContact CZ3-CB 4.24Å; W105-P118 HydrophobicContact CH2-CG 4.21Å; W105-P118 HydrophobicContact CZ3-CG 4.09Å
106W91Very high86.9Confident36 Ų3675.2 Ų75.214%0.13635%0.35CS..EExtended strand (participates in β ladder)trans-113.7147.2169.2-88.285.9000111C71 L73 R100 L116 F117 A119C71-W106 WeakPolarHBondContact SG-CH2 3.23Å; C71-W106 VanDerWaalsContact SG-CZ3 3.53Å; L73-W106 HydrophobicContact CD1-CD2 3.82Å; L73-W106 HydrophobicContact CD1-CE3 3.88Å; L73-W106 HydrophobicContact CD1-CG 4.2Å; L73-W106 HydrophobicContact CD1-CZ3 4.3Å; R100-W106 HydrophobicContact CB-CD2 3.93Å; R100-W106 HydrophobicContact CB-CE3 4.08Å; R100-W106 HydrophobicContact CB-CH2 3.9Å; R100-W106 HydrophobicContact CB-CZ2 3.75Å; R100-W106 HydrophobicContact CB-CZ3 4.06Å; R100-W106 HydrophobicContact CG-CD2 4.17Å; R100-W106 HydrophobicContact CG-CG 4.46Å; R100-W106 HydrophobicContact CG-CZ2 4.08Å; W106-L116 CarbonylContact O-C 3.58Å; W106-L116 VanDerWaalsContact O-CA 3.29Å; W106-L116 WeakPolarHBondContact O-CA 3.49Å; W106-F117 HydrophobicContact CB-CD2 3.93Å; W106-F117 HydrophobicContact CB-CE1 4.31Å; W106-F117 HydrophobicContact CB-CE2 3.37Å; W106-F117 HydrophobicContact CB-CZ 3.61Å; W106-F117 HydrophobicContact CG-CE2 4.13Å; W106-F117 HydrophobicContact CG-CZ 4.49Å; W106-F117 PolarHBondContact N-O 3.37Å; W106-F117 PolarHBondContact O-N 2.86Å; W106-A119 VanDerWaalsContact CD1-CB 3.42Å
107R89.3Confident87Confident125 Ų12574.5 Ų74.547%0.47235%0.346SS..EExtended strand (participates in β ladder)trans-103.6127.2162.5-175.4174.161.8-170.5-1.8108.7K98 T99 V101 L116K98-R107 PolarHBondContact N-O 3.17Å; T99-R107 PolarHBondContact N-O 3.5Å; T99-R107 PolarHBondContact O-N 2.81Å; T99-R107 PolarHBondContact OG1-NH2 2.78Å; V101-R107 HydrophobicContact CG2-CB 4.02Å; R107-L116 HydrophobicContact CB-CD2 3.8Å; R107-L116 HydrophobicContact CG-CD2 4.28Å
108G92.5Very high87.2Confident0 Ų075.3 Ų75.30%035%0.351CS..EExtended strand (participates in β ladder)trans-149.4-175.8179.100000113.5V96 R114 G115V96-G108 CarbonylContact O-C 3.58Å; V96-G108 WeakPolarHBondContact O-CA 3.13Å; G108-R114 WeakPolarHBondContact O-CA 3.34Å; G108-G115 PolarHBondContact N-O 2.86Å; G108-G115 VanDerWaalsContact N-O 3.14Å; G108-G115 PolarHBondContact O-N 2.91Å
109E90.8Very high87.1Confident38 Ų3873.1 Ų73.118%0.17834%0.343CS..EExtended strand (participates in β ladder)trans-131.4129.3-177-170.1174.3156.400110.4V96 K98 K113 R114V96-E109 HydrophobicContact CB-CB 4.41Å; V96-E109 PolarHBondContact N-O 2.88Å; V96-E109 PolarHBondContact O-N 2.92Å; K98-E109 WeakPolarHBondContact CE-OE2 3.41Å; E109-K113 CarbonylContact C-O 3.46Å; E109-K113 VanDerWaalsContact CA-O 3.27Å; E109-K113 WeakPolarHBondContact CA-O 3.47Å; E109-R114 HydrophobicContact CB-CG 4.04Å; E109-R114 HydrophobicContact CG-CG 3.84Å; E109-R114 IonicContact OE2-CZ 3.81Å; E109-R114 VanDerWaalsContact OE2-CZ 3.31Å; E109-R114 IonicContact OE2-NE 2.91Å; E109-R114 PolarHBondContact OE2-NE 3.17Å; E109-R114 IonicContact OE2-NH2 2.6Å; E109-R114 PolarHBondContact OE2-NH2 3.41Å
110L89.3Confident87.2Confident11 Ų1176.6 Ų76.66%0.05836%0.355CS..EExtended strand (participates in β ladder)trans-140.3128.2178.1179.867.4000108.5L87 I89 D93 V94 I95 N112 K113L87-L110 HydrophobicContact CD1-CB 4.45Å; L87-L110 HydrophobicContact CD2-CB 3.92Å; L87-L110 HydrophobicContact CG-CB 4.47Å; I89-L110 HydrophobicContact CG2-CD2 4.18Å; D93-L110 HydrophobicContact CB-CD1 4.04Å; D93-L110 HydrophobicContact CB-CD2 3.94Å; D93-L110 WeakPolarHBondContact OD2-CD2 3.24Å; V94-L110 WeakPolarHBondContact O-CD1 3.4Å; I95-L110 HydrophobicContact CG1-CB 4.42Å; I95-L110 HydrophobicContact CG1-CD1 4.22Å; I95-L110 HydrophobicContact CG1-CD2 4.4Å; L110-N112 VanDerWaalsContact C-N 3.3Å; L110-N112 PolarHBondContact O-N 3.46Å; L110-K113 PolarHBondContact N-O 3.02Å; L110-K113 WeakPolarHBondContact O-CA 3.43Å; L110-K113 WeakPolarHBondContact O-CB 3.36Å; L110-K113 PolarHBondContact O-N 3.38Å
111Y83.3Confident87.6Confident156 Ų15674.5 Ų74.561%0.61235%0.348SS*.THydrogen-bonded Turntrans47.646.2-177.4-51.4-62.2000113.9D93 K113D93-Y111 PolarHBondContact OD1-OH 3.25Å; Y111-K113 PolarHBondContact O-N 2.98Å; Y111-K113 VanDerWaalsContact O-N 3.08Å
112N81.8Confident88Confident150 Ų15070.9 Ų70.980%0.80233%0.326SS*.THydrogen-bonded Turntrans60.28-174.7-60.9-36.1000115.5L110L110-N112 VanDerWaalsContact C-N 3.3Å; L110-N112 PolarHBondContact O-N 3.46Å
113K87.3Confident88.3Confident151 Ų15171.5 Ų71.566%0.65733%0.327SS*.EExtended strand (participates in β ladder)trans-96.4137.6171.4-63.3-177.7179.7-179.80109.5L87 E109 L110 Y111L87-K113 HydrophobicContact CD1-CB 3.74Å; E109-K113 CarbonylContact C-O 3.46Å; E109-K113 VanDerWaalsContact CA-O 3.27Å; E109-K113 WeakPolarHBondContact CA-O 3.47Å; L110-K113 PolarHBondContact N-O 3.02Å; L110-K113 WeakPolarHBondContact O-CA 3.43Å; L110-K113 WeakPolarHBondContact O-CB 3.36Å; L110-K113 PolarHBondContact O-N 3.38Å; Y111-K113 PolarHBondContact O-N 2.98Å; Y111-K113 VanDerWaalsContact O-N 3.08Å
114R89.3Confident88.8Confident174 Ų17470.2 Ų70.266%0.65732%0.32SS*.EExtended strand (participates in β ladder)trans-114.4140.7177.2-67.5-178.6176.9174.14.9109.8G108 E109G108-R114 WeakPolarHBondContact O-CA 3.34Å; E109-R114 HydrophobicContact CB-CG 4.04Å; E109-R114 HydrophobicContact CG-CG 3.84Å; E109-R114 IonicContact OE2-CZ 3.81Å; E109-R114 VanDerWaalsContact OE2-CZ 3.31Å; E109-R114 IonicContact OE2-NE 2.91Å; E109-R114 PolarHBondContact OE2-NE 3.17Å; E109-R114 IonicContact OE2-NH2 2.6Å; E109-R114 PolarHBondContact OE2-NH2 3.41Å
115G90.6Very high88.8Confident8 Ų866.9 Ų66.98%0.08230%0.302CS..EExtended strand (participates in β ladder)trans-178.2-173.7174.500000112.3A85 G108A85-G115 CarbonylContact O-C 3.49Å; A85-G115 WeakPolarHBondContact O-CA 3.43Å; G108-G115 PolarHBondContact N-O 2.86Å; G108-G115 VanDerWaalsContact N-O 3.14Å; G108-G115 PolarHBondContact O-N 2.91Å
116L89.4Confident88.4Confident52 Ų5267.8 Ų67.827%0.27231%0.312SS..EExtended strand (participates in β ladder)trans-95.9143.1-179.9-62.3175.9000111.6A85 D86 L87 V101 W105 W106 R107A85-L116 PolarHBondContact O-N 2.83Å; D86-L116 CarbonylContact C-O 3.56Å; D86-L116 WeakPolarHBondContact CA-O 3.45Å; L87-L116 PolarHBondContact N-O 3.34Å; V101-L116 HydrophobicContact CG2-CD2 3.66Å; W105-L116 HydrophobicContact CE3-CB 3.97Å; W105-L116 HydrophobicContact CZ3-CB 4.24Å; W106-L116 CarbonylContact O-C 3.58Å; W106-L116 VanDerWaalsContact O-CA 3.29Å; W106-L116 WeakPolarHBondContact O-CA 3.49Å; R107-L116 HydrophobicContact CB-CD2 3.8Å; R107-L116 HydrophobicContact CG-CD2 4.28Å
117F93.3Very high87.5Confident0 Ų068.7 Ų68.70%032%0.321CS..EExtended strand (participates in β ladder)trans-147.7155.7172.253.3-91.1000110.7L73 F79 L87 I89 I95 W106 V122L73-F117 HydrophobicContact CD1-CE2 4.07Å; L73-F117 HydrophobicContact CD1-CZ 3.97Å; F79-F117 HydrophobicContact CD1-CB 4.09Å; F79-F117 HydrophobicContact CE1-CB 4.3Å; L87-F117 HydrophobicContact CB-CD1 4.22Å; L87-F117 HydrophobicContact CD2-CD1 3.97Å; L87-F117 HydrophobicContact CD2-CE1 4.09Å; I89-F117 HydrophobicContact CD1-CB 3.93Å; I89-F117 HydrophobicContact CD1-CD2 4.04Å; I89-F117 HydrophobicContact CD1-CG 4.12Å; I89-F117 HydrophobicContact CG1-CB 4.39Å; I89-F117 HydrophobicContact CG2-CB 4.49Å; I89-F117 HydrophobicContact CG2-CD1 4.46Å; I89-F117 HydrophobicContact CG2-CG 4.44Å; I95-F117 HydrophobicContact CG2-CE1 3.69Å; I95-F117 HydrophobicContact CG2-CZ 3.63Å; W106-F117 HydrophobicContact CB-CD2 3.93Å; W106-F117 HydrophobicContact CB-CE1 4.31Å; W106-F117 HydrophobicContact CB-CE2 3.37Å; W106-F117 HydrophobicContact CB-CZ 3.61Å; W106-F117 HydrophobicContact CG-CE2 4.13Å; W106-F117 HydrophobicContact CG-CZ 4.49Å; W106-F117 PolarHBondContact N-O 3.37Å; W106-F117 PolarHBondContact O-N 2.86Å; F117-V122 HydrophobicContact CD2-CG1 3.75Å; F117-V122 HydrophobicContact CD2-CG2 4.33Å; F117-V122 HydrophobicContact CE2-CB 4.32Å; F117-V122 HydrophobicContact CE2-CG1 3.57Å; F117-V122 HydrophobicContact CE2-CG2 3.88Å
118P91.8Very high86.4Confident18 Ų1864.2 Ų64.212%0.11731%0.311CS..EExtended strand (participates in β ladder)trans-64.6136.1-178.8-2334.1000113.1F79 N104 W105 H120 Y121F79-P118 HydrophobicContact CD2-CG 3.85Å; F79-P118 HydrophobicContact CE2-CG 3.92Å; F79-P118 HydrophobicContact CG-CG 4.25Å; F79-P118 HydrophobicContact CZ-CG 4.38Å; N104-P118 CarbonylContact O-C 3.56Å; N104-P118 VanDerWaalsContact O-CA 3.29Å; N104-P118 WeakPolarHBondContact O-CA 3.27Å; W105-P118 HydrophobicContact CH2-CG 4.21Å; W105-P118 HydrophobicContact CZ3-CG 4.09Å; P118-H120 VanDerWaalsContact C-N 3.28Å; P118-H120 PolarHBondContact O-N 2.92Å; P118-Y121 HydrophobicContact CB-CD2 3.66Å; P118-Y121 HydrophobicContact CB-CE2 4.19Å; P118-Y121 HydrophobicContact CB-CG 4.06Å; P118-Y121 HydrophobicContact CG-CD2 4.21Å; P118-Y121 HydrophobicContact CG-CE2 4.46Å; P118-Y121 HydrophobicContact CG-CG 4.35Å; P118-Y121 PolarHBondContact O-N 2.98Å
119A86.4Confident84.5Confident9 Ų973.6 Ų73.67%0.07435%0.352CS..G310 helixtrans-64-29.6178.900000114T103 N104 W106 Y121 V122T103-A119 WeakPolarHBondContact O-CB 3.47Å; N104-A119 WeakPolarHBondContact O-CB 3.22Å; N104-A119 PolarHBondContact O-N 2.89Å; W106-A119 VanDerWaalsContact CD1-CB 3.42Å; A119-Y121 PolarHBondContact O-N 3.15Å; A119-V122 WeakPolarHBondContact O-CG2 3.38Å
120H88.5Confident82.1Confident135 Ų13577.6 Ų77.663%0.62537%0.37SS*.G310 helixtrans-79-7.9178.9-62.2-62.9000113.6P118 V122P118-H120 VanDerWaalsContact C-N 3.28Å; P118-H120 PolarHBondContact O-N 2.92Å; H120-V122 VanDerWaalsContact C-N 3.35Å
121Y90.9Very high79.8Confident85 Ų8582.2 Ų82.233%0.33340%0.404SS..G310 helixtrans-94.3-2.1-178.7-78.1-131.6000111.8A75 V76 N77 N78 F79 P118 A119A75-Y121 WeakPolarHBondContact CA-O 3.41Å; V76-Y121 WeakPolarHBondContact CG2-O 3.46Å; V76-Y121 PolarHBondContact N-O 3.04Å; N77-Y121 HydrophobicContact CB-CD1 3.51Å; N77-Y121 HydrophobicContact CB-CE1 3.99Å; N77-Y121 HydrophobicContact CB-CG 3.89Å; N77-Y121 PolarHBondContact N-O 2.9Å; N78-Y121 WeakPolarHBondContact O-CD1 3.35Å; N78-Y121 WeakPolarHBondContact O-CE1 3.17Å; F79-Y121 HydrophobicContact CB-CD1 3.72Å; F79-Y121 HydrophobicContact CB-CE1 4.04Å; P118-Y121 HydrophobicContact CB-CD2 3.66Å; P118-Y121 HydrophobicContact CB-CE2 4.19Å; P118-Y121 HydrophobicContact CB-CG 4.06Å; P118-Y121 HydrophobicContact CG-CD2 4.21Å; P118-Y121 HydrophobicContact CG-CE2 4.46Å; P118-Y121 HydrophobicContact CG-CG 4.35Å; P118-Y121 PolarHBondContact O-N 2.98Å; A119-Y121 PolarHBondContact O-N 3.15Å
122V91.2Very high77.5Confident7 Ų782.3 Ų82.34%0.04241%0.41CS..EExtended strand (participates in β ladder)trans-130152-178.5-66.30000110.9L73 I74 I89 I95 F117 A119 H120L73-V122 HydrophobicContact CB-CB 4.22Å; L73-V122 HydrophobicContact CD1-CG2 4.23Å; I74-V122 CarbonylContact O-C 3.46Å; I74-V122 VanDerWaalsContact O-CA 3.26Å; I74-V122 WeakPolarHBondContact O-CA 3.38Å; I89-V122 HydrophobicContact CD1-CG1 3.88Å; I95-V122 HydrophobicContact CD1-CG1 3.79Å; F117-V122 HydrophobicContact CD2-CG1 3.75Å; F117-V122 HydrophobicContact CD2-CG2 4.33Å; F117-V122 HydrophobicContact CE2-CB 4.32Å; F117-V122 HydrophobicContact CE2-CG1 3.57Å; F117-V122 HydrophobicContact CE2-CG2 3.88Å; A119-V122 WeakPolarHBondContact O-CG2 3.38Å; H120-V122 VanDerWaalsContact C-N 3.35Å
123Q88.3Confident75.5Confident88 Ų8886.1 Ų86.141%0.41141%0.413SS..EExtended strand (participates in β ladder)trans-121.9141.5173.1-166.266.52300110M1 L73 I74 V76 L125M1-Q123 HydrophobicContact CE-CG 4.28Å; M1-Q123 HydrophobicContact CG-CG 4Å; M1-Q123 HydrophobicContact SD-CB 4.31Å; M1-Q123 HydrophobicContact SD-CG 4.15Å; L73-Q123 WeakPolarHBondContact CA-O 3.39Å; I74-Q123 HydrophobicContact CG2-CB 4.24Å; I74-Q123 PolarHBondContact N-O 3.13Å; I74-Q123 PolarHBondContact O-N 3.29Å; V76-Q123 HydrophobicContact CG1-CB 4.03Å; Q123-L125 PolarHBondContact O-N 2.83Å
124P86.7Confident73.9Confident68 Ų6882.1 Ų82.144%0.44240%0.398SS..EExtended strand (participates in β ladder)trans-61.4125.3173.1-23.433.8000111.8M1 L73M1-P124 PolarHBondContact N-O 3.18Å; L73-P124 HydrophobicContact CD2-CG 4.43Å
125L84.2Confident72.3Confident9 Ų979.6 Ų79.65%0.04740%0.402CS..  trans-100.1109.4175179.167.3000109M1 A3 V6 L30 L63 L72 I74 Q123M1-L125 HydrophobicContact CB-CD1 4.46Å; A3-L125 HydrophobicContact CB-CD1 4.08Å; V6-L125 HydrophobicContact CG2-CD1 4.35Å; V6-L125 HydrophobicContact CG2-CD2 3.65Å; L30-L125 HydrophobicContact CD2-CD1 4.04Å; L63-L125 HydrophobicContact CD2-CD2 4.22Å; L72-L125 HydrophobicContact CB-CB 4.18Å; L72-L125 WeakPolarHBondContact CB-O 3.36Å; L72-L125 PolarHBondContact O-N 3.17Å; I74-L125 HydrophobicContact CG2-CB 4.48Å; Q123-L125 PolarHBondContact O-N 2.83Å
126I80.6Confident70.7Confident103 Ų10381.5 Ų81.553%0.52841%0.412SS..EExtended strand (participates in β ladder)trans-93.1108.9176.2-57.1174.1000106.9M1 L2 A3 A128M1-I126 PolarHBondContact O-N 3.49Å; L2-I126 WeakPolarHBondContact CA-O 3.42Å; L2-I126 HydrophobicContact CD1-CB 4.09Å; L2-I126 HydrophobicContact CD1-CG2 3.76Å; A3-I126 PolarHBondContact N-O 2.99Å; A3-I126 VanDerWaalsContact N-O 3.14Å; I126-A128 PolarHBondContact O-N 3.38Å
127V72.6Confident69.3Low55 Ų5583.7 Ų83.733%0.33343%0.429SS..EExtended strand (participates in β ladder)trans-77.6108.7175.2-1730000108.2A3 L63 L72 K129A3-V127 CarbonylContact O-C 3.46Å; A3-V127 VanDerWaalsContact O-CA 3.28Å; A3-V127 WeakPolarHBondContact O-CA 3.15Å; L63-V127 HydrophobicContact CD1-CG1 4.07Å; L63-V127 HydrophobicContact CD1-CG2 3.65Å; L72-V127 HydrophobicContact CD1-CG2 3.57Å; V127-K129 PolarHBondContact O-N 3.17Å; V127-K129 VanDerWaalsContact O-N 3.12Å
128A66.4Low68.3Low31 Ų3184.9 Ų84.926%0.25643%0.434SS..  trans-65.2111.6167.900000106.9L2 A3 V4 I126 E130L2-A128 HydrophobicContact CD1-CB 4.08Å; L2-A128 HydrophobicContact CG-CB 4.34Å; A3-A128 PolarHBondContact O-N 3.14Å; V4-A128 HydrophobicContact CG2-CB 4.24Å; I126-A128 PolarHBondContact O-N 3.38Å; A128-E130 PolarHBondContact O-N 3.15Å
129K51.8Low67.7Low197 Ų19788.8 Ų88.886%0.85745%0.451SS*.  trans-57.3119.9170.7-72.5-175.9178.51790106.7V127 S131V127-K129 PolarHBondContact O-N 3.17Å; V127-K129 VanDerWaalsContact O-N 3.12Å; K129-S131 PolarHBondContact O-N 3.48Å; K129-S131 VanDerWaalsContact O-N 3.09Å
130E41.3Very low67.4Low122 Ų12288.4 Ų88.457%0.5745%0.447SS*.SBendtrans-39.7119.7175.8-144.6147-14300107.5V4 K34 A128 Q132V4-E130 HydrophobicContact CG1-CG 4.19Å; K34-E130 WeakPolarHBondContact CD-OE1 3.32Å; K34-E130 IonicContact NZ-OE1 2.89Å; A128-E130 PolarHBondContact O-N 3.15Å; E130-Q132 PolarHBondContact O-N 3.45Å; E130-Q132 VanDerWaalsContact O-N 3.16Å
131S40.3Very low67Low109 Ų10984.7 Ų84.776%0.76243%0.431SS*.  trans-18.8113.6-172.3-52.90000110.9K129 R133K129-S131 PolarHBondContact O-N 3.48Å; K129-S131 VanDerWaalsContact O-N 3.09Å; S131-R133 PolarHBondContact O-N 3.45Å
132Q35.3Very low66.7Low158 Ų15880.7 Ų80.774%0.73842%0.416SS*.  trans-23.1103.5166.9-75.5170.9-32.300108.6E130 I134E130-Q132 PolarHBondContact O-N 3.45Å; E130-Q132 VanDerWaalsContact O-N 3.16Å; Q132-I134 PolarHBondContact O-N 2.95Å
133R40.4Very low66.2Low230 Ų23085.3 Ų85.387%0.86844%0.435SS*.  trans-49.2114.4178.4-85.5-176.6176.4173.1-1.9105.2S131 V135S131-R133 PolarHBondContact O-N 3.45Å; R133-V135 PolarHBondContact O-N 3.45Å
134I53.4Low65.7Low66 Ų6684.5 Ų84.534%0.33844%0.437SS..  trans-60.5110-174.5-55.7174.2000105.1Q132 V136 F138 L167 L186 P191Q132-I134 PolarHBondContact O-N 2.95Å; I134-V136 PolarHBondContact O-N 3.23Å; I134-F138 HydrophobicContact CB-CE1 4.12Å; I134-F138 HydrophobicContact CG2-CD1 3.31Å; I134-F138 HydrophobicContact CG2-CD2 4.17Å; I134-F138 HydrophobicContact CG2-CE1 3.21Å; I134-F138 HydrophobicContact CG2-CE2 4.09Å; I134-F138 HydrophobicContact CG2-CG 3.81Å; I134-F138 HydrophobicContact CG2-CZ 3.63Å; I134-L167 HydrophobicContact CB-CD1 4.35Å; I134-L167 WeakPolarHBondContact O-CD1 3.27Å; I134-L186 HydrophobicContact CD1-CD2 4.48Å; I134-P191 HydrophobicContact CD1-CG 4.17Å
135V56Low65.7Low122 Ų12284.2 Ų84.274%0.73944%0.437SS*.PPolyproline II helixtrans-70.4120.2-176.7-179.40000106.6R133R133-V135 PolarHBondContact O-N 3.45Å
136V56Low65.9Low48 Ų4885 Ų8529%0.29144%0.441SS..SBendtrans-86.3144.7170.4-730000110I134 F138 V164 E165 L167I134-V136 PolarHBondContact O-N 3.23Å; V136-F138 HydrophobicContact CG1-CD1 3.87Å; V136-F138 HydrophobicContact CG1-CE1 3.78Å; V136-V164 HydrophobicContact CG1-CG1 3.98Å; V136-E165 VanDerWaalsContact CB-O 3.29Å; V136-E165 WeakPolarHBondContact CB-O 3.37Å; V136-E165 WeakPolarHBondContact CG2-O 3.26Å; V136-L167 HydrophobicContact CG1-CD1 4.3Å; V136-L167 HydrophobicContact CG1-CG 3.86Å
137P60.4Low66.2Low97 Ų9786.4 Ų86.463%0.6344%0.443SS*.SBendcis-80.9148.20.432.3-34.1000113.6I163 V164P137-I163 HydrophobicContact CB-CG2 4.26Å; P137-V164 CarbonylContact C-O 3.53Å; P137-V164 WeakPolarHBondContact CA-O 3.42Å; P137-V164 WeakPolarHBondContact CB-O 3.4Å
138F73.1Confident66.8Low25 Ų2585.5 Ų85.511%0.1144%0.441CS..EExtended strand (participates in β ladder)trans-137.9153.9169.665.7-84.6000111.1I134 V136 A140 V164 L186 P191I134-F138 HydrophobicContact CB-CE1 4.12Å; I134-F138 HydrophobicContact CG2-CD1 3.31Å; I134-F138 HydrophobicContact CG2-CD2 4.17Å; I134-F138 HydrophobicContact CG2-CE1 3.21Å; I134-F138 HydrophobicContact CG2-CE2 4.09Å; I134-F138 HydrophobicContact CG2-CG 3.81Å; I134-F138 HydrophobicContact CG2-CZ 3.63Å; V136-F138 HydrophobicContact CG1-CD1 3.87Å; V136-F138 HydrophobicContact CG1-CE1 3.78Å; F138-A140 HydrophobicContact CD2-CB 4.22Å; F138-A140 HydrophobicContact CE2-CB 3.9Å; F138-V164 HydrophobicContact CD1-CB 3.99Å; F138-V164 HydrophobicContact CD1-CG1 4.3Å; F138-V164 HydrophobicContact CD2-CB 4.37Å; F138-V164 HydrophobicContact CD2-CG2 4.38Å; F138-V164 HydrophobicContact CE1-CB 3.59Å; F138-V164 HydrophobicContact CE1-CG1 3.55Å; F138-V164 HydrophobicContact CE1-CG2 4.17Å; F138-V164 HydrophobicContact CE2-CB 4.01Å; F138-V164 HydrophobicContact CE2-CG2 3.75Å; F138-V164 HydrophobicContact CG-CB 4.36Å; F138-V164 HydrophobicContact CZ-CB 3.6Å; F138-V164 HydrophobicContact CZ-CG1 3.74Å; F138-V164 HydrophobicContact CZ-CG2 3.63Å; F138-V164 PolarHBondContact N-O 2.86Å; F138-V164 PolarHBondContact O-N 3.1Å; F138-L186 HydrophobicContact CZ-CD1 4.01Å; F138-P191 HydrophobicContact CD2-CB 3.83Å; F138-P191 HydrophobicContact CD2-CG 4.33Å; F138-P191 HydrophobicContact CE2-CB 3.76Å; F138-P191 HydrophobicContact CE2-CG 3.75Å; F138-P191 HydrophobicContact CZ-CG 4.44Å
139Q77.9Confident67.4Low101 Ų10191.8 Ų91.847%0.47247%0.465SS..EExtended strand (participates in β ladder)trans-85.3140.7173.4-66.8-177.316.800109.9V161 I163 I192Q139-V161 HydrophobicContact CB-CG1 4.35Å; Q139-I163 HydrophobicContact CG-CG1 4.3Å; Q139-I192 HydrophobicContact CB-CB 4.49Å; Q139-I192 HydrophobicContact CB-CD1 4.22Å; Q139-I192 PolarHBondContact O-N 3.49Å
140A81.1Confident68.5Low0 Ų086.9 Ų86.90%045%0.448CS..EExtended strand (participates in β ladder)trans-138.6150.7177.900000110.8F138 V161 V162 V164 V189 Q190F138-A140 HydrophobicContact CD2-CB 4.22Å; F138-A140 HydrophobicContact CE2-CB 3.9Å; A140-V161 CarbonylContact O-C 3.53Å; A140-V161 WeakPolarHBondContact O-CA 3.46Å; A140-V162 HydrophobicContact CB-CG1 4.01Å; A140-V162 PolarHBondContact N-O 2.94Å; A140-V162 PolarHBondContact O-N 3.04Å; A140-V164 HydrophobicContact CB-CG2 4.13Å; A140-V189 HydrophobicContact CB-CB 3.77Å; A140-V189 HydrophobicContact CB-CG2 3.99Å; A140-Q190 CarbonylContact C-O 3.49Å; A140-Q190 WeakPolarHBondContact CA-O 3.44Å; A140-Q190 VanDerWaalsContact CB-O 3.28Å; A140-Q190 WeakPolarHBondContact CB-O 3.26Å
141I80.4Confident70.3Confident57 Ų5787.1 Ų87.129%0.29246%0.46SS..EExtended strand (participates in β ladder)trans-99.1134.1173-55.5178.7000108.7K143 D160 V161 V189 Q190 I192I141-K143 PolarHBondContact O-N 2.87Å; I141-D160 CarbonylContact C-O 3.58Å; I141-D160 WeakPolarHBondContact CA-O 3.25Å; I141-V161 HydrophobicContact CG1-CG2 4.45Å; I141-V189 CarbonylContact O-C 3.55Å; I141-V189 VanDerWaalsContact O-CA 3.26Å; I141-V189 WeakPolarHBondContact O-CA 3.4Å; I141-Q190 PolarHBondContact N-O 3.46Å; I141-Q190 PolarHBondContact O-N 3.2Å; I141-I192 HydrophobicContact CD1-CD1 3.94Å; I141-I192 HydrophobicContact CD1-CG1 4.09Å; I141-I192 HydrophobicContact CG1-CD1 3.44Å; I141-I192 VanDerWaalsContact CG1-CD1 3.44Å; I141-I192 HydrophobicContact CG1-CG1 3.63Å
142V84.2Confident72.2Confident1 Ų187.1 Ų87.11%0.00645%0.448CS..EExtended strand (participates in β ladder)trans-66.7114.5172.5-1800000109.5T144 L156 N157 G159 D160 V162 F188 V189V142-T144 WeakPolarHBondContact CG1-O 3.37Å; V142-L156 HydrophobicContact CB-CB 4.47Å; V142-L156 HydrophobicContact CG1-CB 3.69Å; V142-L156 HydrophobicContact CG1-CD1 4.36Å; V142-L156 HydrophobicContact CG2-CB 3.91Å; V142-L156 HydrophobicContact CG2-CD1 4.27Å; V142-L156 HydrophobicContact CG2-CD2 3.92Å; V142-L156 HydrophobicContact CG2-CG 4.27Å; V142-N157 VanDerWaalsContact CB-O 3.27Å; V142-N157 WeakPolarHBondContact CB-O 3.42Å; V142-N157 WeakPolarHBondContact CG1-O 3.2Å; V142-G159 PolarHBondContact O-N 3.26Å; V142-D160 HydrophobicContact CG2-CB 4.05Å; V142-D160 WeakPolarHBondContact CG2-O 3.42Å; V142-D160 PolarHBondContact N-O 3.42Å; V142-V162 HydrophobicContact CG2-CG1 4.44Å; V142-F188 CarbonylContact C-O 3.57Å; V142-F188 WeakPolarHBondContact CA-O 3.22Å; V142-V189 HydrophobicContact CG2-CG1 4.21Å
143K80Confident74.8Confident104 Ų10480.8 Ų80.845%0.45242%0.418SS..SBendtrans-78.7-29.8175.7-68.4-175.3176.7-173.50113.3I141 E158 F188 Q190I141-K143 PolarHBondContact O-N 2.87Å; K143-E158 WeakPolarHBondContact O-CG 3.43Å; K143-F188 PolarHBondContact N-O 2.64Å; K143-Q190 HydrophobicContact CD-CB 4.27Å; K143-Q190 HydrophobicContact CG-CB 4.02Å
144T77.3Confident77.1Confident71 Ų7170.2 Ų70.244%0.43638%0.379SS..SBendtrans-141.9132.3-172.9-49.20000108V142 F188V142-T144 WeakPolarHBondContact CG1-O 3.37Å; T144-F188 HydrophobicContact CG2-CD1 4.34Å; T144-F188 HydrophobicContact CG2-CE1 4.12Å; T144-F188 WeakPolarHBondContact O-CD1 3.32Å
145S87.8Confident78.8Confident63 Ų6369.2 Ų69.244%0.44138%0.375SS..  trans-64.7141.7176.8-570000111.4L156 E158S145-L156 CarbonylContact C-O 3.55Å; S145-L156 VanDerWaalsContact CA-O 3.25Å; S145-L156 WeakPolarHBondContact CA-O 3.44Å; S145-E158 WeakPolarHBondContact OG-CB 3.32Å; S145-E158 PolarHBondContact OG-N 3.2Å
146L87.4Confident80.3Confident26 Ų2663.4 Ų63.414%0.13634%0.339CS..BIsolated β-bridgetrans-131.9136.1177.7-176.568.3000109.2E153 D155 L156 F184 P185 F188L146-E153 HydrophobicContact CD2-CG 4.48Å; L146-E153 VanDerWaalsContact CD2-OE1 3.27Å; L146-E153 WeakPolarHBondContact CD2-OE1 3.39Å; L146-D155 WeakPolarHBondContact O-CA 3.46Å; L146-L156 HydrophobicContact CB-CB 3.94Å; L146-L156 HydrophobicContact CB-CD1 4.19Å; L146-L156 HydrophobicContact CB-CG 4.22Å; L146-L156 HydrophobicContact CD2-CD1 4.06Å; L146-L156 HydrophobicContact CD2-CG 4.39Å; L146-L156 PolarHBondContact N-O 2.9Å; L146-L156 PolarHBondContact O-N 3.02Å; L146-F184 HydrophobicContact CD2-CB 3.94Å; L146-P185 HydrophobicContact CD2-CG 4.48Å; L146-F188 HydrophobicContact CB-CD1 3.79Å; L146-F188 HydrophobicContact CB-CE1 3.93Å; L146-F188 HydrophobicContact CD1-CD1 4.22Å; L146-F188 HydrophobicContact CD1-CE1 3.67Å; L146-F188 HydrophobicContact CD1-CZ 4.03Å; L146-F188 HydrophobicContact CD2-CD1 4.45Å; L146-F188 HydrophobicContact CG-CD1 4.39Å; L146-F188 HydrophobicContact CG-CE1 4.3Å
147K86.8Confident81.7Confident131 Ų13164.3 Ų64.357%0.5734%0.343SS*.  trans-107.5123.5171.7-77.4-71.7172.7-173.60108.9Q149 D155K147-Q149 PolarHBondContact O-N 3.49Å; K147-D155 WeakPolarHBondContact CA-OD1 3.46Å; K147-D155 IonicContact NZ-OD2 3.8Å; K147-D155 PolarHBondContact NZ-OD2 2.8Å
148A85.2Confident82.8Confident37 Ų3766 Ų6631%0.30634%0.342SS..  trans-58.3125.4-179.800000110.3E153 D155A148-E153 HydrophobicContact CB-CB 3.89Å; A148-E153 HydrophobicContact CB-CG 4.06Å; A148-E153 VanDerWaalsContact CB-O 3.26Å; A148-E153 WeakPolarHBondContact CB-O 3.15Å; A148-D155 WeakPolarHBondContact CB-OD1 3.5Å; A148-D155 PolarHBondContact N-OD1 3.37Å
149Q79.6Confident83Confident162 Ų16266.2 Ų66.276%0.75735%0.351SS*.  trans-102.8-22175.3-63.4-174.6-12.500111.7K147 E153K147-Q149 PolarHBondContact O-N 3.49Å; Q149-E153 PolarHBondContact N-OE2 2.83Å
150L75.3Confident83.2Confident94 Ų9462.8 Ų62.849%0.49234%0.336SS..SBendtrans-113.1151.4177.7-62.1173000111E152 E153L150-E152 HydrophobicContact CB-CG 4.16Å; L150-E152 PolarHBondContact O-N 3.23Å; L150-E153 HydrophobicContact CB-CB 4.21Å; L150-E153 PolarHBondContact N-OE2 2.94Å; L150-E153 WeakPolarHBondContact O-CB 3.42Å; L150-E153 PolarHBondContact O-N 3.3Å
151P77.8Confident83.1Confident128 Ų12865.6 Ų65.683%0.83135%0.353SS*.THydrogen-bonded Turntrans-59.3-32.1177.8-22.833.4000113.8E153P151-E153 VanDerWaalsContact C-N 3.33Å
152E81.1Confident83.2Confident109 Ų10962.9 Ų62.951%0.50934%0.339SS..THydrogen-bonded Turntrans-76.9-13.9174.756.5-90.1-16600114.4L150 G182 T183L150-E152 HydrophobicContact CB-CG 4.16Å; L150-E152 PolarHBondContact O-N 3.23Å; E152-G182 CarbonylContact O-C 3.54Å; E152-G182 VanDerWaalsContact O-CA 3.29Å; E152-G182 WeakPolarHBondContact O-CA 3.36Å; E152-T183 PolarHBondContact O-N 3.4Å; E152-T183 PolarHBondContact O-OG1 2.89Å
153E89.6Confident83.2Confident24 Ų2466.4 Ų66.411%0.11236%0.357CS..BIsolated β-bridgetrans-87.1150.3-178.7-167.1-180-172.900111.2L146 A148 Q149 L150 P151 T183L146-E153 HydrophobicContact CD2-CG 4.48Å; L146-E153 VanDerWaalsContact CD2-OE1 3.27Å; L146-E153 WeakPolarHBondContact CD2-OE1 3.39Å; A148-E153 HydrophobicContact CB-CB 3.89Å; A148-E153 HydrophobicContact CB-CG 4.06Å; A148-E153 VanDerWaalsContact CB-O 3.26Å; A148-E153 WeakPolarHBondContact CB-O 3.15Å; Q149-E153 PolarHBondContact N-OE2 2.83Å; L150-E153 HydrophobicContact CB-CB 4.21Å; L150-E153 PolarHBondContact N-OE2 2.94Å; L150-E153 WeakPolarHBondContact O-CB 3.42Å; L150-E153 PolarHBondContact O-N 3.3Å; P151-E153 VanDerWaalsContact C-N 3.33Å; E153-T183 WeakPolarHBondContact CA-O 3.39Å; E153-T183 WeakPolarHBondContact CG-O 3.47Å
154I89.7Confident83.3Confident9 Ų961.4 Ų61.45%0.04634%0.335CS..  trans-112.3141.3178.7-164.9167.1000112.4L156 V177 R180 T183 F184I154-L156 HydrophobicContact CG2-CD2 3.92Å; I154-L156 HydrophobicContact CG2-CG 4.43Å; I154-L156 PolarHBondContact O-N 3.3Å; I154-V177 HydrophobicContact CD1-CB 4.19Å; I154-V177 HydrophobicContact CD1-CG1 3.6Å; I154-V177 HydrophobicContact CG1-CG1 4.01Å; I154-R180 VanDerWaalsContact CD1-C 3.4Å; I154-R180 HydrophobicContact CD1-CB 3.65Å; I154-R180 WeakPolarHBondContact CD1-O 3.33Å; I154-R180 HydrophobicContact CG1-CB 4.32Å; I154-T183 PolarHBondContact N-O 2.78Å; I154-T183 VanDerWaalsContact N-O 3.1Å; I154-F184 HydrophobicContact CG2-CB 4.33Å; I154-F184 HydrophobicContact CG2-CD1 3.47Å; I154-F184 VanDerWaalsContact CG2-CD1 3.47Å; I154-F184 HydrophobicContact CG2-CE1 4.18Å; I154-F184 HydrophobicContact CG2-CG 4.28Å
155D87.6Confident83.5Confident45 Ų4561 Ų6124%0.24133%0.328CS..  trans-63.1125.1168.7-85.95000110.2L146 K147 A148L146-D155 WeakPolarHBondContact O-CA 3.46Å; K147-D155 WeakPolarHBondContact CA-OD1 3.46Å; K147-D155 IonicContact NZ-OD2 3.8Å; K147-D155 PolarHBondContact NZ-OD2 2.8Å; A148-D155 WeakPolarHBondContact CB-OD1 3.5Å; A148-D155 PolarHBondContact N-OD1 3.37Å
156L88.9Confident83.1Confident0 Ų061.8 Ų61.80%033%0.325CS..BIsolated β-bridgetrans-112.6132.7171.2-57.1178.2000109.2V142 S145 L146 I154 V177 F184 F188 V189V142-L156 HydrophobicContact CB-CB 4.47Å; V142-L156 HydrophobicContact CG1-CB 3.69Å; V142-L156 HydrophobicContact CG1-CD1 4.36Å; V142-L156 HydrophobicContact CG2-CB 3.91Å; V142-L156 HydrophobicContact CG2-CD1 4.27Å; V142-L156 HydrophobicContact CG2-CD2 3.92Å; V142-L156 HydrophobicContact CG2-CG 4.27Å; S145-L156 CarbonylContact C-O 3.55Å; S145-L156 VanDerWaalsContact CA-O 3.25Å; S145-L156 WeakPolarHBondContact CA-O 3.44Å; L146-L156 HydrophobicContact CB-CB 3.94Å; L146-L156 HydrophobicContact CB-CD1 4.19Å; L146-L156 HydrophobicContact CB-CG 4.22Å; L146-L156 HydrophobicContact CD2-CD1 4.06Å; L146-L156 HydrophobicContact CD2-CG 4.39Å; L146-L156 PolarHBondContact N-O 2.9Å; L146-L156 PolarHBondContact O-N 3.02Å; I154-L156 HydrophobicContact CG2-CD2 3.92Å; I154-L156 HydrophobicContact CG2-CG 4.43Å; I154-L156 PolarHBondContact O-N 3.3Å; L156-V177 HydrophobicContact CD2-CG1 4.46Å; L156-F184 HydrophobicContact CD1-CB 3.63Å; L156-F184 HydrophobicContact CD1-CD2 3.79Å; L156-F184 HydrophobicContact CD1-CG 3.75Å; L156-F184 HydrophobicContact CD2-CD1 4.22Å; L156-F184 HydrophobicContact CD2-CG 4.21Å; L156-F184 HydrophobicContact CG-CB 4.22Å; L156-F184 HydrophobicContact CG-CG 4.34Å; L156-F188 HydrophobicContact CD1-CB 4.12Å; L156-V189 HydrophobicContact CD1-CG1 4.26Å
157N83.9Confident82.6Confident67 Ų6763.2 Ų63.236%0.35833%0.333SS..  trans-107.6135.9168.1-47.2-71.7000109.1V142 G159 D160V142-N157 VanDerWaalsContact CB-O 3.27Å; V142-N157 WeakPolarHBondContact CB-O 3.42Å; V142-N157 WeakPolarHBondContact CG1-O 3.2Å; N157-G159 PolarHBondContact O-N 2.99Å; N157-D160 WeakPolarHBondContact CB-OD2 3.32Å; N157-D160 PolarHBondContact N-OD2 3.33Å; N157-D160 PolarHBondContact ND2-OD2 3.23Å; N157-D160 VanDerWaalsContact O-CB 3.29Å; N157-D160 WeakPolarHBondContact O-CB 3.4Å; N157-D160 PolarHBondContact O-N 3.39Å
158E84.5Confident82Confident133 Ų13361.2 Ų61.262%0.62133%0.328SS*.THydrogen-bonded Turntrans-51.2125.7175.9-176.6172.9168.600110.7K143 S145K143-E158 WeakPolarHBondContact O-CG 3.43Å; S145-E158 WeakPolarHBondContact OG-CB 3.32Å; S145-E158 PolarHBondContact OG-N 3.2Å
159G76.7Confident80.9Confident28 Ų2863.4 Ų63.429%0.28933%0.334SS..THydrogen-bonded Turntrans93.4-9.3-17500000115.9V142 N157V142-G159 PolarHBondContact O-N 3.26Å; N157-G159 PolarHBondContact O-N 2.99Å
160D83.5Confident80.1Confident29 Ų2962.8 Ų62.816%0.15534%0.336CS..  trans-67.7147.3173-79.4-27.8000111.2I141 V142 N157 V177 Q178I141-D160 CarbonylContact C-O 3.58Å; I141-D160 WeakPolarHBondContact CA-O 3.25Å; V142-D160 HydrophobicContact CG2-CB 4.05Å; V142-D160 WeakPolarHBondContact CG2-O 3.42Å; V142-D160 PolarHBondContact N-O 3.42Å; N157-D160 WeakPolarHBondContact CB-OD2 3.32Å; N157-D160 PolarHBondContact N-OD2 3.33Å; N157-D160 PolarHBondContact ND2-OD2 3.23Å; N157-D160 VanDerWaalsContact O-CB 3.29Å; N157-D160 WeakPolarHBondContact O-CB 3.4Å; N157-D160 PolarHBondContact O-N 3.39Å; D160-V177 HydrophobicContact CB-CG2 3.87Å; D160-Q178 PolarHBondContact OD1-NE2 2.95Å; D160-Q178 PolarHBondContact OD2-NE2 3.06Å
161V78.2Confident79.7Confident60 Ų6064 Ų6436%0.36434%0.343SS..EExtended strand (participates in β ladder)trans-95.9121.9172-178.80000108.4Q139 A140 I141 V177 I192Q139-V161 HydrophobicContact CB-CG1 4.35Å; A140-V161 CarbonylContact O-C 3.53Å; A140-V161 WeakPolarHBondContact O-CA 3.46Å; I141-V161 HydrophobicContact CG1-CG2 4.45Å; V161-V177 WeakPolarHBondContact O-CG2 3.49Å; V161-I192 HydrophobicContact CG1-CD1 4.26Å
162V82.6Confident79.9Confident0 Ų062 Ų620%032%0.318CS..EExtended strand (participates in β ladder)trans-111.9137.817767.10000110.2A140 V142 V164 V176 V177 F184 V189A140-V162 HydrophobicContact CB-CG1 4.01Å; A140-V162 PolarHBondContact N-O 2.94Å; A140-V162 PolarHBondContact O-N 3.04Å; V142-V162 HydrophobicContact CG2-CG1 4.44Å; V162-V164 HydrophobicContact CG1-CG2 4.41Å; V162-V176 WeakPolarHBondContact CG2-O 3.24Å; V162-V177 HydrophobicContact CB-CB 4.29Å; V162-V177 HydrophobicContact CB-CG2 3.97Å; V162-V177 HydrophobicContact CG2-CB 4.04Å; V162-V177 HydrophobicContact CG2-CG2 4.28Å; V162-F184 HydrophobicContact CB-CZ 4.19Å; V162-F184 HydrophobicContact CG1-CE2 3.99Å; V162-F184 HydrophobicContact CG1-CZ 3.82Å; V162-F184 HydrophobicContact CG2-CE1 3.54Å; V162-F184 HydrophobicContact CG2-CE2 4.22Å; V162-F184 HydrophobicContact CG2-CZ 3.29Å; V162-V189 HydrophobicContact CG1-CB 4.23Å; V162-V189 HydrophobicContact CG1-CG1 3.65Å
163I83.7Confident80.1Confident74 Ų7456.8 Ų56.838%0.37929%0.294SS..EExtended strand (participates in β ladder)trans-92.3108.5171.6-57.5177.1000106.7P137 Q139 E165 G175 V176P137-I163 HydrophobicContact CB-CG2 4.26Å; Q139-I163 HydrophobicContact CG-CG1 4.3Å; I163-E165 HydrophobicContact CG2-CG 4.27Å; I163-E165 PolarHBondContact O-N 2.77Å; I163-G175 CarbonylContact O-C 3.49Å; I163-G175 WeakPolarHBondContact O-CA 3.27Å; I163-V176 PolarHBondContact N-O 3.22Å; I163-V176 PolarHBondContact O-N 3.07Å
164V82.5Confident80Confident0 Ų060 Ų600%031%0.305CS..EExtended strand (participates in β ladder)trans-78.5114.5174.2-177.30000107.6V136 P137 F138 A140 V162 L167 C173 F184 V189V136-V164 HydrophobicContact CG1-CG1 3.98Å; P137-V164 CarbonylContact C-O 3.53Å; P137-V164 WeakPolarHBondContact CA-O 3.42Å; P137-V164 WeakPolarHBondContact CB-O 3.4Å; F138-V164 HydrophobicContact CD1-CB 3.99Å; F138-V164 HydrophobicContact CD1-CG1 4.3Å; F138-V164 HydrophobicContact CD2-CB 4.37Å; F138-V164 HydrophobicContact CD2-CG2 4.38Å; F138-V164 HydrophobicContact CE1-CB 3.59Å; F138-V164 HydrophobicContact CE1-CG1 3.55Å; F138-V164 HydrophobicContact CE1-CG2 4.17Å; F138-V164 HydrophobicContact CE2-CB 4.01Å; F138-V164 HydrophobicContact CE2-CG2 3.75Å; F138-V164 HydrophobicContact CG-CB 4.36Å; F138-V164 HydrophobicContact CZ-CB 3.6Å; F138-V164 HydrophobicContact CZ-CG1 3.74Å; F138-V164 HydrophobicContact CZ-CG2 3.63Å; F138-V164 PolarHBondContact N-O 2.86Å; F138-V164 PolarHBondContact O-N 3.1Å; A140-V164 HydrophobicContact CB-CG2 4.13Å; V162-V164 HydrophobicContact CG1-CG2 4.41Å; V164-L167 HydrophobicContact CG1-CD2 4.44Å; V164-C173 HydrophobicContact CG1-CB 3.64Å; V164-F184 HydrophobicContact CG2-CE2 4.17Å; V164-F184 HydrophobicContact CG2-CZ 4Å; V164-V189 HydrophobicContact CG2-CG2 4.42Å
165E81.8Confident79.9Confident62 Ų6259.6 Ų59.629%0.2930%0.303SS..EExtended strand (participates in β ladder)trans-99-28.6-176.2-66.5179.7128.100113.1V136 I163 R174 V176 R181V136-E165 VanDerWaalsContact CB-O 3.29Å; V136-E165 WeakPolarHBondContact CB-O 3.37Å; V136-E165 WeakPolarHBondContact CG2-O 3.26Å; I163-E165 HydrophobicContact CG2-CG 4.27Å; I163-E165 PolarHBondContact O-N 2.77Å; E165-R174 PolarHBondContact N-O 2.91Å; E165-V176 HydrophobicContact CG-CG2 4.48Å; E165-V176 WeakPolarHBondContact OE2-CG2 3.44Å; E165-R181 IonicContact OE1-CZ 3.19Å; E165-R181 IonicContact OE1-NH2 2.77Å; E165-R181 PolarHBondContact OE1-NH2 3.11Å; E165-R181 IonicContact OE2-CZ 3.58Å; E165-R181 IonicContact OE2-NE 2.91Å; E165-R181 PolarHBondContact OE2-NE 3.21Å; E165-R181 IonicContact OE2-NH2 3.76Å; E165-R181 PolarHBondContact OE2-NH2 3.26Å
166Q79.6Confident79.9Confident80 Ų8059 Ų5937%0.37430%0.301SS..EExtended strand (participates in β ladder)trans-147.6136.1179.8-173.4176.48.500110.7C173 R174Q166-C173 CarbonylContact O-C 3.57Å; Q166-C173 WeakPolarHBondContact O-CA 3.5Å; Q166-R174 HydrophobicContact CB-CB 4.32Å; Q166-R174 PolarHBondContact N-O 2.96Å; Q166-R174 PolarHBondContact O-N 3.48Å; Q166-R174 VanDerWaalsContact OE1-CZ 3.26Å
167L75.2Confident79.6Confident56 Ų5659.2 Ų59.229%0.29330%0.302SS..EExtended strand (participates in β ladder)trans-87.9121.9165.4-65166.4000107.3I134 V136 V164 C173 L186I134-L167 HydrophobicContact CB-CD1 4.35Å; I134-L167 WeakPolarHBondContact O-CD1 3.27Å; V136-L167 HydrophobicContact CG1-CD1 4.3Å; V136-L167 HydrophobicContact CG1-CG 3.86Å; V164-L167 HydrophobicContact CG1-CD2 4.44Å; L167-C173 HydrophobicContact CD2-CB 3.85Å; L167-L186 HydrophobicContact CD2-CD1 4.14Å; L167-L186 HydrophobicContact CD2-CD2 4.21Å
168L74.2Confident79.4Confident88 Ų8862 Ų6246%0.46131%0.313SS..  trans-82.9-40.2178.8-67.6166.1000110.2W172 R174 T183L168-W172 HydrophobicContact CB-CB 4.34Å; L168-W172 PolarHBondContact N-O 3.15Å; L168-R174 HydrophobicContact CD1-CB 4.38Å; L168-R174 HydrophobicContact CG-CB 4.47Å; L168-T183 HydrophobicContact CD1-CG2 3.51Å
169D63.3Low79.1Confident84 Ų8459.3 Ų59.345%0.44932%0.321SS..SBendtrans-154.2-167.9172.162.834.6000110.3L171 W172D169-L171 PolarHBondContact O-N 3.11Å; D169-L171 WeakPolarHBondContact OD1-CA 3.48Å; D169-L171 PolarHBondContact OD1-N 2.63Å; D169-W172 PolarHBondContact N-O 3.08Å; D169-W172 WeakPolarHBondContact OD1-CB 3.19Å; D169-W172 PolarHBondContact OD1-N 3.25Å
170D62.6Low79.1Confident148 Ų14865.3 Ų65.379%0.79134%0.335SS*.SBendtrans-66.3-15.1-179.1-65.6-26000113.9
171L66.4Low79.3Confident120 Ų12071 Ų7163%0.62835%0.354SS*.SBendtrans-122-19.1-171.9-62.5174.2000113.5D169 P185 L186D169-L171 PolarHBondContact O-N 3.11Å; D169-L171 WeakPolarHBondContact OD1-CA 3.48Å; D169-L171 PolarHBondContact OD1-N 2.63Å; L171-P185 CarbonylContact O-C 3.57Å; L171-P185 VanDerWaalsContact O-CA 3.26Å; L171-P185 WeakPolarHBondContact O-CA 3.46Å; L171-L186 PolarHBondContact O-N 3.33Å
172W83.4Confident79.8Confident86 Ų8668.5 Ų68.533%0.32634%0.34SS..EExtended strand (participates in β ladder)trans-126.8143-173.8-75.986.4000113L168 D169 F184 P185L168-W172 HydrophobicContact CB-CB 4.34Å; L168-W172 PolarHBondContact N-O 3.15Å; D169-W172 PolarHBondContact N-O 3.08Å; D169-W172 WeakPolarHBondContact OD1-CB 3.19Å; D169-W172 PolarHBondContact OD1-N 3.25Å; W172-F184 VanDerWaalsContact CE3-C 3.47Å; W172-P185 HydrophobicContact CD2-CG 4.41Å; W172-P185 HydrophobicContact CE3-CG 4.34Å; W172-P185 HydrophobicContact CH2-CG 3.91Å; W172-P185 HydrophobicContact CZ2-CG 3.96Å; W172-P185 HydrophobicContact CZ3-CG 4.11Å
173C83.7Confident80.2Confident0 Ų069.5 Ų69.50%035%0.346CS..EExtended strand (participates in β ladder)trans-140.1152.9179.663.50000111.7V164 Q166 L167 T183 F184V164-C173 HydrophobicContact CG1-CB 3.64Å; Q166-C173 CarbonylContact O-C 3.57Å; Q166-C173 WeakPolarHBondContact O-CA 3.5Å; L167-C173 HydrophobicContact CD2-CB 3.85Å; C173-T183 CarbonylContact O-C 3.54Å; C173-T183 VanDerWaalsContact O-CA 3.32Å; C173-T183 WeakPolarHBondContact O-CA 3.22Å; C173-F184 PolarHBondContact N-O 3.05Å; C173-F184 PolarHBondContact O-N 3.15Å; C173-F184 VanDerWaalsContact O-O 3.07Å; C173-F184 VanDerWaalsContact SG-CD2 3.52Å; C173-F184 WeakPolarHBondContact SG-CE2 3.38Å; C173-F184 PolarHBondContact SG-O 3.32Å; C173-F184 VanDerWaalsContact SG-O 3.39Å
174R87.4Confident80.4Confident92 Ų9266 Ų6635%0.34733%0.328SS..EExtended strand (participates in β ladder)trans-105.7129.8174.4-174.1172.468.41660.1108.4E165 Q166 L168 R181 G182 T183E165-R174 PolarHBondContact N-O 2.91Å; Q166-R174 HydrophobicContact CB-CB 4.32Å; Q166-R174 PolarHBondContact N-O 2.96Å; Q166-R174 PolarHBondContact O-N 3.48Å; Q166-R174 VanDerWaalsContact OE1-CZ 3.26Å; L168-R174 HydrophobicContact CD1-CB 4.38Å; L168-R174 HydrophobicContact CG-CB 4.47Å; R174-R181 HydrophobicContact CG-CG 4.41Å; R174-G182 WeakPolarHBondContact CA-O 3.49Å; R174-T183 HydrophobicContact CB-CG2 4.32Å; R174-T183 HydrophobicContact CG-CG2 4.39Å
175G89.2Confident80.7Confident0 Ų067 Ų670%033%0.334CS..EExtended strand (participates in β ladder)trans-154.3-179.9-17800000113.2I163 R181 G182I163-G175 CarbonylContact O-C 3.49Å; I163-G175 WeakPolarHBondContact O-CA 3.27Å; G175-R181 WeakPolarHBondContact O-CA 3.41Å; G175-G182 PolarHBondContact N-O 3.44Å; G175-G182 PolarHBondContact O-N 3.32Å
176V86.8Confident80.6Confident32 Ų3265.7 Ų65.719%0.19433%0.329CS..EExtended strand (participates in β ladder)trans-121.7122.3-177.2-176.20000109.5V162 I163 E165 R180 R181V162-V176 WeakPolarHBondContact CG2-O 3.24Å; I163-V176 PolarHBondContact N-O 3.22Å; I163-V176 PolarHBondContact O-N 3.07Å; E165-V176 HydrophobicContact CG-CG2 4.48Å; E165-V176 WeakPolarHBondContact OE2-CG2 3.44Å; V176-R180 CarbonylContact C-O 3.52Å; V176-R180 VanDerWaalsContact CA-O 3.23Å; V176-R180 WeakPolarHBondContact CA-O 3.33Å; V176-R180 WeakPolarHBondContact CG1-O 3.46Å; V176-R181 HydrophobicContact CG2-CB 4Å; V176-R181 HydrophobicContact CG2-CG 4Å
177V83.4Confident80.6Confident5 Ų565.6 Ų65.63%0.0334%0.342CS..EExtended strand (participates in β ladder)trans-122.6127.4172.596.30000108.1I154 L156 D160 V161 V162 G179 R180I154-V177 HydrophobicContact CD1-CB 4.19Å; I154-V177 HydrophobicContact CD1-CG1 3.6Å; I154-V177 HydrophobicContact CG1-CG1 4.01Å; L156-V177 HydrophobicContact CD2-CG1 4.46Å; D160-V177 HydrophobicContact CB-CG2 3.87Å; V161-V177 WeakPolarHBondContact O-CG2 3.49Å; V162-V177 HydrophobicContact CB-CB 4.29Å; V162-V177 HydrophobicContact CB-CG2 3.97Å; V162-V177 HydrophobicContact CG2-CB 4.04Å; V162-V177 HydrophobicContact CG2-CG2 4.28Å; V177-G179 PolarHBondContact O-N 3Å; V177-G179 VanDerWaalsContact O-N 3.1Å; V177-R180 PolarHBondContact N-O 3.46Å; V177-R180 PolarHBondContact O-N 3.18Å
178Q78.9Confident81Confident126 Ų12665.6 Ų65.659%0.58934%0.34SS*.THydrogen-bonded Turntrans50.338.6179.1-55.5179.4-1.100114.4D160 R180D160-Q178 PolarHBondContact OD1-NE2 2.95Å; D160-Q178 PolarHBondContact OD2-NE2 3.06Å; Q178-R180 PolarHBondContact O-N 3.08Å
179G77.5Confident81.4Confident75 Ų7561.7 Ų61.777%0.77332%0.32SS*.THydrogen-bonded Turntrans76.8-5.9-17900000115.6V177V177-G179 PolarHBondContact O-N 3Å; V177-G179 VanDerWaalsContact O-N 3.1Å
180R78.3Confident82.1Confident154 Ų15462.9 Ų62.958%0.58132%0.323SS*.EExtended strand (participates in β ladder)trans-90.3137.2171.2-74.3-172.8-92.6-177.2-5.3109.6I154 V176 V177 Q178I154-R180 VanDerWaalsContact CD1-C 3.4Å; I154-R180 HydrophobicContact CD1-CB 3.65Å; I154-R180 WeakPolarHBondContact CD1-O 3.33Å; I154-R180 HydrophobicContact CG1-CB 4.32Å; V176-R180 CarbonylContact C-O 3.52Å; V176-R180 VanDerWaalsContact CA-O 3.23Å; V176-R180 WeakPolarHBondContact CA-O 3.33Å; V176-R180 WeakPolarHBondContact CG1-O 3.46Å; V177-R180 PolarHBondContact N-O 3.46Å; V177-R180 PolarHBondContact O-N 3.18Å; Q178-R180 PolarHBondContact O-N 3.08Å
181R86.1Confident82.7Confident150 Ų15058.2 Ų58.257%0.56630%0.301SS*.EExtended strand (participates in β ladder)trans-109134.6178-174.8-177.9-98.5179.1-0109.4E165 R174 G175 V176E165-R181 IonicContact OE1-CZ 3.19Å; E165-R181 IonicContact OE1-NH2 2.77Å; E165-R181 PolarHBondContact OE1-NH2 3.11Å; E165-R181 IonicContact OE2-CZ 3.58Å; E165-R181 IonicContact OE2-NE 2.91Å; E165-R181 PolarHBondContact OE2-NE 3.21Å; E165-R181 IonicContact OE2-NH2 3.76Å; E165-R181 PolarHBondContact OE2-NH2 3.26Å; R174-R181 HydrophobicContact CG-CG 4.41Å; G175-R181 WeakPolarHBondContact O-CA 3.41Å; V176-R181 HydrophobicContact CG2-CB 4Å; V176-R181 HydrophobicContact CG2-CG 4Å
182G90Very high82.9Confident6 Ų655 Ų556%0.06228%0.284CS..EExtended strand (participates in β ladder)trans-171.4-176.2174.100000111.9E152 R174 G175E152-G182 CarbonylContact O-C 3.54Å; E152-G182 VanDerWaalsContact O-CA 3.29Å; E152-G182 WeakPolarHBondContact O-CA 3.36Å; R174-G182 WeakPolarHBondContact CA-O 3.49Å; G175-G182 PolarHBondContact N-O 3.44Å; G175-G182 PolarHBondContact O-N 3.32Å
183T89.6Confident81.2Confident22 Ų2258.2 Ų58.214%0.13530%0.302CS..EExtended strand (participates in β ladder)trans-98.2150.2-179.963.90000110.8E152 E153 I154 L168 C173 R174E152-T183 PolarHBondContact O-N 3.4Å; E152-T183 PolarHBondContact O-OG1 2.89Å; E153-T183 WeakPolarHBondContact CA-O 3.39Å; E153-T183 WeakPolarHBondContact CG-O 3.47Å; I154-T183 PolarHBondContact N-O 2.78Å; I154-T183 VanDerWaalsContact N-O 3.1Å; L168-T183 HydrophobicContact CD1-CG2 3.51Å; C173-T183 CarbonylContact O-C 3.54Å; C173-T183 VanDerWaalsContact O-CA 3.32Å; C173-T183 WeakPolarHBondContact O-CA 3.22Å; R174-T183 HydrophobicContact CB-CG2 4.32Å; R174-T183 HydrophobicContact CG-CG2 4.39Å
184F89Confident78.9Confident0 Ų063 Ų630%033%0.334CS..EExtended strand (participates in β ladder)trans-160.4157175.751.5-87000110.6L146 I154 L156 V162 V164 W172 C173 V189L146-F184 HydrophobicContact CD2-CB 3.94Å; I154-F184 HydrophobicContact CG2-CB 4.33Å; I154-F184 HydrophobicContact CG2-CD1 3.47Å; I154-F184 VanDerWaalsContact CG2-CD1 3.47Å; I154-F184 HydrophobicContact CG2-CE1 4.18Å; I154-F184 HydrophobicContact CG2-CG 4.28Å; L156-F184 HydrophobicContact CD1-CB 3.63Å; L156-F184 HydrophobicContact CD1-CD2 3.79Å; L156-F184 HydrophobicContact CD1-CG 3.75Å; L156-F184 HydrophobicContact CD2-CD1 4.22Å; L156-F184 HydrophobicContact CD2-CG 4.21Å; L156-F184 HydrophobicContact CG-CB 4.22Å; L156-F184 HydrophobicContact CG-CG 4.34Å; V162-F184 HydrophobicContact CB-CZ 4.19Å; V162-F184 HydrophobicContact CG1-CE2 3.99Å; V162-F184 HydrophobicContact CG1-CZ 3.82Å; V162-F184 HydrophobicContact CG2-CE1 3.54Å; V162-F184 HydrophobicContact CG2-CE2 4.22Å; V162-F184 HydrophobicContact CG2-CZ 3.29Å; V164-F184 HydrophobicContact CG2-CE2 4.17Å; V164-F184 HydrophobicContact CG2-CZ 4Å; W172-F184 VanDerWaalsContact CE3-C 3.47Å; C173-F184 PolarHBondContact N-O 3.05Å; C173-F184 PolarHBondContact O-N 3.15Å; C173-F184 VanDerWaalsContact O-O 3.07Å; C173-F184 VanDerWaalsContact SG-CD2 3.52Å; C173-F184 WeakPolarHBondContact SG-CE2 3.38Å; C173-F184 PolarHBondContact SG-O 3.32Å; C173-F184 VanDerWaalsContact SG-O 3.39Å; F184-V189 HydrophobicContact CD2-CG1 3.85Å; F184-V189 HydrophobicContact CE2-CB 4.39Å; F184-V189 HydrophobicContact CE2-CG1 3.58Å; F184-V189 HydrophobicContact CE2-CG2 3.95Å
185P87.8Confident76.2Confident20 Ų2064.1 Ų64.113%0.1335%0.353CS..EExtended strand (participates in β ladder)trans-69135.3178.8-16.430000112.1L146 L171 W172 A187 F188L146-P185 HydrophobicContact CD2-CG 4.48Å; L171-P185 CarbonylContact O-C 3.57Å; L171-P185 VanDerWaalsContact O-CA 3.26Å; L171-P185 WeakPolarHBondContact O-CA 3.46Å; W172-P185 HydrophobicContact CD2-CG 4.41Å; W172-P185 HydrophobicContact CE3-CG 4.34Å; W172-P185 HydrophobicContact CH2-CG 3.91Å; W172-P185 HydrophobicContact CZ2-CG 3.96Å; W172-P185 HydrophobicContact CZ3-CG 4.11Å; P185-A187 PolarHBondContact O-N 2.91Å; P185-F188 HydrophobicContact CB-CD2 3.79Å; P185-F188 HydrophobicContact CB-CE2 4.22Å; P185-F188 HydrophobicContact CG-CD2 4Å; P185-F188 HydrophobicContact CG-CE2 4.13Å; P185-F188 WeakPolarHBondContact O-CB 3.37Å; P185-F188 PolarHBondContact O-N 3Å; P185-F188 VanDerWaalsContact O-N 3.08Å
186L80.1Confident73.2Confident35 Ų3572.7 Ų72.718%0.18340%0.398CS..G310 helixtrans-58.8-30.8179-177.764.4000112.1I134 F138 L167 L171 F188 V189I134-L186 HydrophobicContact CD1-CD2 4.48Å; F138-L186 HydrophobicContact CZ-CD1 4.01Å; L167-L186 HydrophobicContact CD2-CD1 4.14Å; L167-L186 HydrophobicContact CD2-CD2 4.21Å; L171-L186 PolarHBondContact O-N 3.33Å; L186-F188 PolarHBondContact O-N 3.47Å; L186-V189 HydrophobicContact CD1-CG2 4.06Å; L186-V189 VanDerWaalsContact O-CG2 3.25Å; L186-V189 WeakPolarHBondContact O-CG2 3.39Å; L186-V189 PolarHBondContact O-N 2.89Å; L186-V189 VanDerWaalsContact O-N 3.15Å
187A80.1Confident70.7Confident79 Ų7977.2 Ų77.265%0.65343%0.426SS*.G310 helixtrans-63.9-22.2178.900000114P185 V189P185-A187 PolarHBondContact O-N 2.91Å; A187-V189 PolarHBondContact O-N 3.27Å
188F83.3Confident68.3Low56 Ų5680.6 Ų80.625%0.24646%0.462CS..G310 helixtrans-81-6.9-179.8-78.5-120000111.9V142 K143 T144 L146 L156 P185 L186V142-F188 CarbonylContact C-O 3.57Å; V142-F188 WeakPolarHBondContact CA-O 3.22Å; K143-F188 PolarHBondContact N-O 2.64Å; T144-F188 HydrophobicContact CG2-CD1 4.34Å; T144-F188 HydrophobicContact CG2-CE1 4.12Å; T144-F188 WeakPolarHBondContact O-CD1 3.32Å; L146-F188 HydrophobicContact CB-CD1 3.79Å; L146-F188 HydrophobicContact CB-CE1 3.93Å; L146-F188 HydrophobicContact CD1-CD1 4.22Å; L146-F188 HydrophobicContact CD1-CE1 3.67Å; L146-F188 HydrophobicContact CD1-CZ 4.03Å; L146-F188 HydrophobicContact CD2-CD1 4.45Å; L146-F188 HydrophobicContact CG-CD1 4.39Å; L146-F188 HydrophobicContact CG-CE1 4.3Å; L156-F188 HydrophobicContact CD1-CB 4.12Å; P185-F188 HydrophobicContact CB-CD2 3.79Å; P185-F188 HydrophobicContact CB-CE2 4.22Å; P185-F188 HydrophobicContact CG-CD2 4Å; P185-F188 HydrophobicContact CG-CE2 4.13Å; P185-F188 WeakPolarHBondContact O-CB 3.37Å; P185-F188 PolarHBondContact O-N 3Å; P185-F188 VanDerWaalsContact O-N 3.08Å; L186-F188 PolarHBondContact O-N 3.47Å
189V82.3Confident66.3Low6 Ų681.4 Ų81.44%0.03647%0.47CS..EExtended strand (participates in β ladder)trans-127.5144.1-175.6-57.90000111.3A140 I141 V142 L156 V162 V164 F184 L186 A187A140-V189 HydrophobicContact CB-CB 3.77Å; A140-V189 HydrophobicContact CB-CG2 3.99Å; I141-V189 CarbonylContact O-C 3.55Å; I141-V189 VanDerWaalsContact O-CA 3.26Å; I141-V189 WeakPolarHBondContact O-CA 3.4Å; V142-V189 HydrophobicContact CG2-CG1 4.21Å; L156-V189 HydrophobicContact CD1-CG1 4.26Å; V162-V189 HydrophobicContact CG1-CB 4.23Å; V162-V189 HydrophobicContact CG1-CG1 3.65Å; V164-V189 HydrophobicContact CG2-CG2 4.42Å; F184-V189 HydrophobicContact CD2-CG1 3.85Å; F184-V189 HydrophobicContact CE2-CB 4.39Å; F184-V189 HydrophobicContact CE2-CG1 3.58Å; F184-V189 HydrophobicContact CE2-CG2 3.95Å; L186-V189 HydrophobicContact CD1-CG2 4.06Å; L186-V189 VanDerWaalsContact O-CG2 3.25Å; L186-V189 WeakPolarHBondContact O-CG2 3.39Å; L186-V189 PolarHBondContact O-N 2.89Å; L186-V189 VanDerWaalsContact O-N 3.15Å; A187-V189 PolarHBondContact O-N 3.27Å
190Q77.6Confident64.1Low108 Ų10882 Ų8251%0.50548%0.477SS..EExtended strand (participates in β ladder)trans-104.8118.3173-164.6162.7-14.800109.3A140 I141 K143 I192A140-Q190 CarbonylContact C-O 3.49Å; A140-Q190 WeakPolarHBondContact CA-O 3.44Å; A140-Q190 VanDerWaalsContact CB-O 3.28Å; A140-Q190 WeakPolarHBondContact CB-O 3.26Å; I141-Q190 PolarHBondContact N-O 3.46Å; I141-Q190 PolarHBondContact O-N 3.2Å; K143-Q190 HydrophobicContact CD-CB 4.27Å; K143-Q190 HydrophobicContact CG-CB 4.02Å; Q190-I192 PolarHBondContact O-N 3.05Å
191P75.1Confident61.8Low51 Ų5181.1 Ų81.133%0.33149%0.489SS..EExtended strand (participates in β ladder)trans-53.4126.5170.8-21.630.3000110.6I134 F138 Q193I134-P191 HydrophobicContact CD1-CG 4.17Å; F138-P191 HydrophobicContact CD2-CB 3.83Å; F138-P191 HydrophobicContact CD2-CG 4.33Å; F138-P191 HydrophobicContact CE2-CB 3.76Å; F138-P191 HydrophobicContact CE2-CG 3.75Å; F138-P191 HydrophobicContact CZ-CG 4.44Å; P191-Q193 PolarHBondContact O-N 3.31Å
192I70.4Confident59.4Low52 Ų5282.3 Ų82.327%0.26751%0.505SS..  trans-84.695.9167-51.9173.2000105.5Q139 I141 V161 Q190 C194Q139-I192 HydrophobicContact CB-CB 4.49Å; Q139-I192 HydrophobicContact CB-CD1 4.22Å; Q139-I192 PolarHBondContact O-N 3.49Å; I141-I192 HydrophobicContact CD1-CD1 3.94Å; I141-I192 HydrophobicContact CD1-CG1 4.09Å; I141-I192 HydrophobicContact CG1-CD1 3.44Å; I141-I192 VanDerWaalsContact CG1-CD1 3.44Å; I141-I192 HydrophobicContact CG1-CG1 3.63Å; V161-I192 HydrophobicContact CG1-CD1 4.26Å; Q190-I192 PolarHBondContact O-N 3.05Å; I192-C194 PolarHBondContact O-N 2.89Å; I192-C194 VanDerWaalsContact O-N 3.16Å
193Q48.7Very low56.6Low154 Ų15489.9 Ų89.972%0.7254%0.543SS*.  trans-74.1106.1174.8-145.8160.55.800107.8P191 P195P191-Q193 PolarHBondContact O-N 3.31Å; Q193-P195 VanDerWaalsContact O-CD 3.27Å; Q193-P195 WeakPolarHBondContact O-CD 3.42Å
194C35.6Very low54.2Low99 Ų9992.9 Ų92.967%0.66956%0.563SS**  trans-65.8119.2168-71.90000108.2I192 L196I192-C194 PolarHBondContact O-N 2.89Å; I192-C194 VanDerWaalsContact O-N 3.16Å; C194-L196 PolarHBondContact O-N 2.9Å; C194-L196 VanDerWaalsContact O-N 3.09Å
195P29.7Very low52.6Low116 Ų116101.5 Ų101.575%0.75360%0.601SS**  trans-65.4114173.4-15.830.3000108.8Q193 V197Q193-P195 VanDerWaalsContact O-CD 3.27Å; Q193-P195 WeakPolarHBondContact O-CD 3.42Å; P195-V197 HydrophobicContact CB-CG2 4.35Å; P195-V197 PolarHBondContact O-N 3.35Å; P195-V197 VanDerWaalsContact O-N 3.1Å
196L26.7Very low51.8Low180 Ų180101.3 Ų101.394%0.94260%0.601SS**  trans-66.4100.8165-72.4159000107.4C194C194-L196 PolarHBondContact O-N 2.9Å; C194-L196 VanDerWaalsContact O-N 3.09Å
197V34Very low51.9Low127 Ų127102.7 Ų102.777%0.7760%0.604SS**  trans-123.9102.3167.5-175.50000109.4P195 D199P195-V197 HydrophobicContact CB-CG2 4.35Å; P195-V197 PolarHBondContact O-N 3.35Å; P195-V197 VanDerWaalsContact O-N 3.1Å; V197-D199 PolarHBondContact O-N 3.17Å
198G33.4Very low52Low77 Ų7798.9 Ų98.979%0.79457%0.573SS**SBendtrans79.8-55.6137.100000118.7
199D36.8Very low51.8Low143 Ų14398 Ų9877%0.76557%0.57SS**SBendtrans-150.363.5-157.4-119.9-10.8000113.6V197 T201V197-D199 PolarHBondContact O-N 3.17Å; D199-T201 PolarHBondContact O-N 2.85Å; D199-T201 PolarHBondContact O-OG1 3.48Å
200G30.9Very low51.6Low88 Ų8897.8 Ų97.891%0.90757%0.569SS**SBendtrans535.714300000121.2
201T31Very low51.4Low135 Ų13597.5 Ų97.583%0.82857%0.566SS**  trans-136.4101.5-173.9430000110.8D199D199-T201 PolarHBondContact O-N 2.85Å; D199-T201 PolarHBondContact O-OG1 3.48Å
202L34.5Very low51.5Low174 Ų174101.5 Ų101.591%0.91158%0.575SS**  trans-79.8109.9177.1-71.3157.3000109.6
203L32.1Very low52.3Low165 Ų165105 Ų10586%0.86459%0.588SS**  trans-121.7114.7150.2-87.4167.6000108.5K205L203-K205 PolarHBondContact O-N 3.5Å
204P39Very low53.8Low86 Ų8699 Ų9956%0.55856%0.56SS**PPolyproline II helixtrans-65.4122-178.925.4-30.9000109.3A206 V261P204-A206 PolarHBondContact O-N 2.96Å; P204-V261 HydrophobicContact CB-CG1 4.09Å; P204-V261 HydrophobicContact CB-CG2 4.26Å; P204-V261 HydrophobicContact CG-CG1 3.95Å
205K54.7Low56.2Low181 Ų18198.7 Ų98.779%0.78756%0.555SS**PPolyproline II helixtrans-58.4127.6167.7-76.1-177.8176.1179.20108.2L203 Y207L203-K205 PolarHBondContact O-N 3.5Å; K205-Y207 PolarHBondContact O-N 3.42Å
206A70.9Confident58.4Low15 Ų1594.6 Ų94.612%0.12453%0.531CS..PPolyproline II helixtrans-53.8132.2-179.200000111.4P204 T231 L232 V261 D262 C263P204-A206 PolarHBondContact O-N 2.96Å; A206-T231 WeakPolarHBondContact O-CG2 3.27Å; A206-L232 HydrophobicContact CB-CB 3.93Å; A206-L232 PolarHBondContact O-N 3.46Å; A206-V261 CarbonylContact C-O 3.58Å; A206-V261 VanDerWaalsContact CA-O 3.25Å; A206-V261 WeakPolarHBondContact CA-O 3.36Å; A206-V261 HydrophobicContact CB-CG1 4.48Å; A206-V261 VanDerWaalsContact CB-O 3.32Å; A206-V261 WeakPolarHBondContact CB-O 3.43Å; A206-D262 WeakPolarHBondContact CB-O 3.34Å; A206-C263 HydrophobicContact CB-CB 3.61Å
207Y82.2Confident60.5Low64 Ų6495.2 Ų95.225%0.25153%0.526SS..EExtended strand (participates in β ladder)trans-154.1159-176.380.9-89.4000112.3K205 K229 L230 L232 K260 V261K205-Y207 PolarHBondContact O-N 3.42Å; Y207-K229 HydrophobicContact CD2-CD 4.37Å; Y207-K229 HydrophobicContact CD2-CG 4.23Å; Y207-L230 WeakPolarHBondContact CA-O 3.42Å; Y207-L230 WeakPolarHBondContact CB-O 3.4Å; Y207-L232 VanDerWaalsContact CA-CD1 3.47Å; Y207-K260 HydrophobicContact CD2-CB 4.32Å; Y207-K260 HydrophobicContact CE2-CB 3.78Å; Y207-K260 HydrophobicContact CE2-CG 4.12Å; Y207-K260 PolarHBondContact O-N 3.48Å; Y207-V261 HydrophobicContact CD1-CB 4.07Å; Y207-V261 HydrophobicContact CD1-CG2 3.88Å; Y207-V261 HydrophobicContact CE1-CB 4.24Å; Y207-V261 HydrophobicContact CE1-CG2 3.53Å; Y207-V261 PolarHBondContact N-O 3.35Å; Y207-V261 PolarHBondContact O-N 3.46Å
208G82.2Confident61.6Low0 Ų093 Ų930%052%0.516CS..EExtended strand (participates in β ladder)trans-150.9172.5-176.700000111.9L230 S258G208-L230 PolarHBondContact N-O 2.97Å; G208-L230 PolarHBondContact O-N 3.16Å; G208-S258 CarbonylContact C-O 3.58Å; G208-S258 WeakPolarHBondContact CA-O 3.42Å
209I79.5Confident62.9Low36 Ų3696.1 Ų96.119%0.18553%0.525CS..EExtended strand (participates in β ladder)trans-125.3133.8-178.3-55.9174.1000109K211 Q228 S258I209-K211 PolarHBondContact O-N 3.47Å; I209-Q228 WeakPolarHBondContact CA-O 3.4Å; I209-S258 PolarHBondContact N-O 2.89Å; I209-S258 WeakPolarHBondContact O-CB 3.41Å; I209-S258 PolarHBondContact O-N 3.24Å
210T78.5Confident64.4Low3 Ų391.5 Ų91.52%0.01851%0.512CS..EExtended strand (participates in β ladder)trans-71126.9-179.556.90000110.9F224 E225 G227 Q228 L230 Y256T210-F224 HydrophobicContact CG2-CB 4.1Å; T210-F224 HydrophobicContact CG2-CD1 3.97Å; T210-F224 HydrophobicContact CG2-CD2 3.21Å; T210-F224 HydrophobicContact CG2-CE1 4.1Å; T210-F224 HydrophobicContact CG2-CE2 3.41Å; T210-F224 VanDerWaalsContact CG2-CE2 3.41Å; T210-F224 HydrophobicContact CG2-CG 3.52Å; T210-F224 HydrophobicContact CG2-CZ 3.86Å; T210-E225 WeakPolarHBondContact CB-O 3.43Å; T210-E225 PolarHBondContact OG1-O 3.34Å; T210-G227 PolarHBondContact O-N 3.16Å; T210-G227 PolarHBondContact OG1-N 3.38Å; T210-Q228 HydrophobicContact CG2-CB 4.36Å; T210-Q228 PolarHBondContact N-O 3.49Å; T210-Q228 PolarHBondContact OG1-N 3.29Å; T210-Q228 PolarHBondContact OG1-O 3.09Å; T210-L230 HydrophobicContact CG2-CD2 3.4Å; T210-L230 VanDerWaalsContact CG2-CD2 3.4Å; T210-L230 HydrophobicContact CG2-CG 4.41Å; T210-Y256 CarbonylContact C-O 3.57Å; T210-Y256 WeakPolarHBondContact CA-O 3.31Å
211K73.5Confident66.8Low101 Ų10189.3 Ų89.344%0.43948%0.478SS..SBendtrans-82.1-32.7178.4-64178.5-173.5163.90112.4I209 Y256I209-K211 PolarHBondContact O-N 3.47Å; K211-Y256 PolarHBondContact N-O 2.83Å
212Y76.5Confident69.2Low135 Ų13583.3 Ų83.353%0.52944%0.44SS..SBendtrans-137.8157.2-174.4-50.3-67.2000110.3F224 Y256Y212-F224 WeakPolarHBondContact O-CE2 3.1Å; Y212-Y256 HydrophobicContact CD2-CD1 4.19Å; Y212-Y256 HydrophobicContact CD2-CD2 4.25Å; Y212-Y256 HydrophobicContact CD2-CE1 4.35Å; Y212-Y256 HydrophobicContact CD2-CE2 4.39Å; Y212-Y256 HydrophobicContact CD2-CG 4.14Å; Y212-Y256 HydrophobicContact CG-CD1 4.48Å; Y212-Y256 HydrophobicContact CG-CE1 4.48Å
213K88.8Confident71.4Confident125 Ų12578.2 Ų78.254%0.54342%0.419SS..  trans-66.7131.7168.8178.9170.1-176.71480109.6V215 F224 E225K213-V215 HydrophobicContact CG-CG2 4.46Å; K213-F224 CarbonylContact C-O 3.51Å; K213-F224 WeakPolarHBondContact CA-O 3.33Å; K213-E225 IonicContact NZ-OE1 3.09Å; K213-E225 PolarHBondContact NZ-OE1 3.03Å
214F79.3Confident74Confident29 Ų2970.7 Ų70.713%0.12738%0.38CS..BIsolated β-bridgetrans-126.6130.5175.4-176.4-102.4000109.2E221 L222 S223 F224 W240 P253 Y256F214-E221 HydrophobicContact CE1-CB 4.15Å; F214-E221 HydrophobicContact CE1-CG 4.46Å; F214-L222 WeakPolarHBondContact CD1-O 3.37Å; F214-S223 CarbonylContact O-C 3.49Å; F214-S223 VanDerWaalsContact O-CA 3.29Å; F214-S223 WeakPolarHBondContact O-CA 3.3Å; F214-F224 HydrophobicContact CB-CD2 3.89Å; F214-F224 HydrophobicContact CB-CE1 4.46Å; F214-F224 HydrophobicContact CB-CE2 3.51Å; F214-F224 HydrophobicContact CB-CG 4.5Å; F214-F224 HydrophobicContact CB-CZ 3.84Å; F214-F224 HydrophobicContact CG-CZ 4.42Å; F214-F224 PolarHBondContact N-O 3.02Å; F214-F224 PolarHBondContact O-N 2.83Å; F214-F224 VanDerWaalsContact O-O 3.05Å; F214-W240 HydrophobicContact CZ-CH2 4.12Å; F214-W240 HydrophobicContact CZ-CZ3 4.11Å; F214-P253 HydrophobicContact CD2-CG 4.04Å; F214-P253 HydrophobicContact CE2-CG 3.66Å; F214-P253 HydrophobicContact CZ-CG 4.09Å; F214-Y256 HydrophobicContact CB-CD1 3.98Å; F214-Y256 HydrophobicContact CB-CE1 4.37Å; F214-Y256 HydrophobicContact CD2-CD1 4.14Å; F214-Y256 HydrophobicContact CD2-CE1 4.11Å; F214-Y256 HydrophobicContact CG-CD1 4.46Å
215V85.9Confident76.2Confident92 Ų9271.6 Ų71.656%0.55838%0.377SS*.  trans-115.1114178.3-177.70000107.2K213 K217K213-V215 HydrophobicContact CG-CG2 4.46Å; V215-K217 PolarHBondContact O-N 3.13Å
216A76.3Confident77.4Confident31 Ų3165.8 Ų65.826%0.25636%0.362SS..  trans-55.5127.4177.300000110.6E221 S223A216-E221 WeakPolarHBondContact CA-OE2 3.31Å; A216-E221 HydrophobicContact CB-CB 3.54Å; A216-E221 WeakPolarHBondContact CB-O 3.34Å; A216-S223 WeakPolarHBondContact CB-OG 3.44Å; A216-S223 PolarHBondContact N-OG 2.91Å
217K69.9Low77.6Confident192 Ų19267.9 Ų67.984%0.83539%0.385SS*.  trans-99.8-21.2174-65.6-176.3179.5178.30111.7V215 E221V215-K217 PolarHBondContact O-N 3.13Å; K217-E221 PolarHBondContact N-OE2 2.66Å
218C57Low77.5Confident82 Ų8268.4 Ų68.455%0.55439%0.39SS*.SBendtrans-123.9150.9-175.2-560000112.4G220 E221C218-G220 PolarHBondContact O-N 3.2Å; C218-E221 HydrophobicContact CB-CG 4.42Å; C218-E221 PolarHBondContact N-OE2 3.26Å; C218-E221 PolarHBondContact O-N 3.12Å
219S62.4Low77.3Confident141 Ų14175 Ų7599%0.98642%0.418SS*.THydrogen-bonded Turntrans-7097.5176.1-170.70000109.8
220G66.6Low77.3Confident47 Ų4773.2 Ų73.249%0.48541%0.41SS..THydrogen-bonded Turntrans141.9-19.8-17400000113.1C218 G250 I251C218-G220 PolarHBondContact O-N 3.2Å; G220-G250 CarbonylContact O-C 3.5Å; G220-G250 WeakPolarHBondContact O-CA 3.41Å; G220-I251 WeakPolarHBondContact O-CG1 3.23Å; G220-I251 PolarHBondContact O-N 3.46Å
221E81.6Confident77.4Confident42 Ų4276.1 Ų76.120%0.19643%0.427CS..BIsolated β-bridgetrans-84.7149.2176-73.1175.2175.700112.4F214 A216 K217 C218 W240 I251F214-E221 HydrophobicContact CE1-CB 4.15Å; F214-E221 HydrophobicContact CE1-CG 4.46Å; A216-E221 WeakPolarHBondContact CA-OE2 3.31Å; A216-E221 HydrophobicContact CB-CB 3.54Å; A216-E221 WeakPolarHBondContact CB-O 3.34Å; K217-E221 PolarHBondContact N-OE2 2.66Å; C218-E221 HydrophobicContact CB-CG 4.42Å; C218-E221 PolarHBondContact N-OE2 3.26Å; C218-E221 PolarHBondContact O-N 3.12Å; E221-W240 HydrophobicContact CG-CZ3 4.23Å; E221-I251 CarbonylContact C-O 3.51Å; E221-I251 VanDerWaalsContact CA-O 3.29Å; E221-I251 WeakPolarHBondContact CA-O 3.42Å; E221-I251 HydrophobicContact CG-CD1 4.44Å; E221-I251 HydrophobicContact CG-CG1 4.05Å
222L80.8Confident77.7Confident8 Ų871.6 Ų71.64%0.04241%0.408CS..  trans-102.1112178.9-174.565.6000111.4F214 F224 I245 K248 I251F214-L222 WeakPolarHBondContact CD1-O 3.37Å; L222-F224 HydrophobicContact CD2-CD1 4.38Å; L222-F224 HydrophobicContact CG-CD1 4.24Å; L222-F224 VanDerWaalsContact O-CD1 3.26Å; L222-F224 WeakPolarHBondContact O-CD1 3.49Å; L222-I245 HydrophobicContact CD2-CB 4.04Å; L222-I245 HydrophobicContact CD2-CD1 3.65Å; L222-I245 HydrophobicContact CD2-CG1 3.7Å; L222-I245 HydrophobicContact CG-CD1 4.23Å; L222-K248 HydrophobicContact CD1-CB 3.74Å; L222-I251 PolarHBondContact N-O 3Å
223S82.4Confident77.8Confident67 Ų6767.8 Ų67.847%0.46940%0.396SS..  trans-73.4135.2171.4-61.60000111.7F214 A216F214-S223 CarbonylContact O-C 3.49Å; F214-S223 VanDerWaalsContact O-CA 3.29Å; F214-S223 WeakPolarHBondContact O-CA 3.3Å; A216-S223 WeakPolarHBondContact CB-OG 3.44Å; A216-S223 PolarHBondContact N-OG 2.91Å
224F85.7Confident77.1Confident7 Ų761.8 Ų61.83%0.03137%0.37CS..BIsolated β-bridgetrans-152.5162.2175.448.4-112000112.6T210 Y212 K213 F214 L222 Q228 L230 I245 A252 I257T210-F224 HydrophobicContact CG2-CB 4.1Å; T210-F224 HydrophobicContact CG2-CD1 3.97Å; T210-F224 HydrophobicContact CG2-CD2 3.21Å; T210-F224 HydrophobicContact CG2-CE1 4.1Å; T210-F224 HydrophobicContact CG2-CE2 3.41Å; T210-F224 VanDerWaalsContact CG2-CE2 3.41Å; T210-F224 HydrophobicContact CG2-CG 3.52Å; T210-F224 HydrophobicContact CG2-CZ 3.86Å; Y212-F224 WeakPolarHBondContact O-CE2 3.1Å; K213-F224 CarbonylContact C-O 3.51Å; K213-F224 WeakPolarHBondContact CA-O 3.33Å; F214-F224 HydrophobicContact CB-CD2 3.89Å; F214-F224 HydrophobicContact CB-CE1 4.46Å; F214-F224 HydrophobicContact CB-CE2 3.51Å; F214-F224 HydrophobicContact CB-CG 4.5Å; F214-F224 HydrophobicContact CB-CZ 3.84Å; F214-F224 HydrophobicContact CG-CZ 4.42Å; F214-F224 PolarHBondContact N-O 3.02Å; F214-F224 PolarHBondContact O-N 2.83Å; F214-F224 VanDerWaalsContact O-O 3.05Å; L222-F224 HydrophobicContact CD2-CD1 4.38Å; L222-F224 HydrophobicContact CG-CD1 4.24Å; L222-F224 VanDerWaalsContact O-CD1 3.26Å; L222-F224 WeakPolarHBondContact O-CD1 3.49Å; F224-Q228 VanDerWaalsContact CA-OE1 3.31Å; F224-L230 HydrophobicContact CD1-CD2 4.45Å; F224-L230 HydrophobicContact CE1-CD2 4.18Å; F224-I245 HydrophobicContact CB-CD1 3.55Å; F224-I245 HydrophobicContact CD1-CD1 3.75Å; F224-I245 HydrophobicContact CG-CD1 4.01Å; F224-A252 HydrophobicContact CD1-CB 4.48Å; F224-A252 HydrophobicContact CE1-CB 3.31Å; F224-A252 HydrophobicContact CZ-CB 3.72Å; F224-I257 HydrophobicContact CZ-CG1 4.47Å
225E84.4Confident77Confident106 Ų10661 Ų6150%0.49537%0.367SS..  trans-94.8167.8170.7-57-149.2135.300111T210 K213T210-E225 WeakPolarHBondContact CB-O 3.43Å; T210-E225 PolarHBondContact OG1-O 3.34Å; K213-E225 IonicContact NZ-OE1 3.09Å; K213-E225 PolarHBondContact NZ-OE1 3.03Å
226A81.2Confident76.1Confident59 Ų5958.9 Ų58.949%0.48835%0.354SS..THydrogen-bonded Turntrans-68.6141.6174.400000110.8
227G75.2Confident75.6Confident58 Ų5860.9 Ų60.960%0.59836%0.36SS*.THydrogen-bonded Turntrans89.9-0.6177.500000115.7T210T210-G227 PolarHBondContact O-N 3.16Å; T210-G227 PolarHBondContact OG1-N 3.38Å
228Q80.1Confident75.7Confident76 Ų7657.6 Ų57.636%0.35535%0.352SS..  trans-78.4139.3178.9-64.2-172.1-52.900111.5I209 T210 F224I209-Q228 WeakPolarHBondContact CA-O 3.4Å; T210-Q228 HydrophobicContact CG2-CB 4.36Å; T210-Q228 PolarHBondContact N-O 3.49Å; T210-Q228 PolarHBondContact OG1-N 3.29Å; T210-Q228 PolarHBondContact OG1-O 3.09Å; F224-Q228 VanDerWaalsContact CA-OE1 3.31Å
229K78.6Confident75.9Confident137 Ų13760.3 Ų60.360%0.59636%0.356SS*.EExtended strand (participates in β ladder)trans-85124.6174-177.5179.6178.1179.50109.7Y207Y207-K229 HydrophobicContact CD2-CD 4.37Å; Y207-K229 HydrophobicContact CD2-CG 4.23Å
230L78.1Confident76.8Confident0 Ų056.6 Ų56.60%032%0.32CS..EExtended strand (participates in β ladder)trans-119.7148.5176.557.383.8000111Y207 G208 T210 F224 L232 C243 I245 I257Y207-L230 WeakPolarHBondContact CA-O 3.42Å; Y207-L230 WeakPolarHBondContact CB-O 3.4Å; G208-L230 PolarHBondContact N-O 2.97Å; G208-L230 PolarHBondContact O-N 3.16Å; T210-L230 HydrophobicContact CG2-CD2 3.4Å; T210-L230 VanDerWaalsContact CG2-CD2 3.4Å; T210-L230 HydrophobicContact CG2-CG 4.41Å; F224-L230 HydrophobicContact CD1-CD2 4.45Å; F224-L230 HydrophobicContact CE1-CD2 4.18Å; L230-L232 HydrophobicContact CD1-CD1 3.61Å; L230-L232 HydrophobicContact CD1-CG 4.18Å; L230-C243 HydrophobicContact CB-CB 4.4Å; L230-C243 HydrophobicContact CD1-CB 3.71Å; L230-C243 HydrophobicContact CD2-CB 4.45Å; L230-C243 HydrophobicContact CG-CB 4.41Å; L230-I245 HydrophobicContact CB-CD1 3.92Å; L230-I245 HydrophobicContact CB-CG1 3.4Å; L230-I245 HydrophobicContact CD2-CD1 4.21Å; L230-I257 HydrophobicContact CD1-CD1 4Å; L230-I257 HydrophobicContact CD1-CG2 3.82Å; L230-I257 HydrophobicContact CD2-CD1 3.88Å; L230-I257 HydrophobicContact CD2-CG1 3.96Å; L230-I257 HydrophobicContact CD2-CG2 4.36Å; L230-I257 HydrophobicContact CG-CG2 4.42Å
231T81.5Confident77.6Confident63 Ų6354.3 Ų54.339%0.38730%0.297SS..EExtended strand (participates in β ladder)trans-89.3124.7173.7-52.40000108.2A206 C243 K244A206-T231 WeakPolarHBondContact O-CG2 3.27Å; T231-C243 CarbonylContact O-C 3.48Å; T231-C243 VanDerWaalsContact O-CA 3.23Å; T231-C243 WeakPolarHBondContact O-CA 3.46Å; T231-C243 WeakPolarHBondContact O-CB 3.31Å; T231-K244 PolarHBondContact N-O 3.42Å; T231-K244 PolarHBondContact O-N 2.83Å
232L79.1Confident77.5Confident7 Ų752.6 Ų52.64%0.03729%0.289CS..EExtended strand (participates in β ladder)trans-82.6124.3174.4-82.288000108.6A206 Y207 L230 T241 I257 I259 C263A206-L232 HydrophobicContact CB-CB 3.93Å; A206-L232 PolarHBondContact O-N 3.46Å; Y207-L232 VanDerWaalsContact CA-CD1 3.47Å; L230-L232 HydrophobicContact CD1-CD1 3.61Å; L230-L232 HydrophobicContact CD1-CG 4.18Å; L232-T241 HydrophobicContact CB-CG2 4.43Å; L232-T241 HydrophobicContact CD2-CG2 3.65Å; L232-T241 HydrophobicContact CG-CG2 3.84Å; L232-I257 HydrophobicContact CD1-CG2 4.35Å; L232-I259 HydrophobicContact CD2-CB 4.49Å; L232-I259 HydrophobicContact CD2-CD1 4.16Å; L232-I259 HydrophobicContact CD2-CG1 4Å; L232-I259 HydrophobicContact CD2-CG2 3.89Å; L232-C263 HydrophobicContact CB-CB 4Å
233I78Confident77.7Confident54 Ų5452.2 Ų52.228%0.27729%0.287SS..EExtended strand (participates in β ladder)trans-94.7-43.4177-60.3176.1000109.5L242 K244 A274 V278I233-L242 HydrophobicContact CB-CD2 4.29Å; I233-L242 HydrophobicContact CB-CG 4.26Å; I233-L242 HydrophobicContact CD1-CG 4.4Å; I233-L242 HydrophobicContact CG2-CD2 4.12Å; I233-L242 PolarHBondContact N-O 3.23Å; I233-K244 HydrophobicContact CD1-CB 4.06Å; I233-A274 HydrophobicContact CG2-CB 4.08Å; I233-V278 HydrophobicContact CD1-CG2 3.79Å
234G75Confident77.7Confident0 Ų051 Ų510%027%0.274CS..EExtended strand (participates in β ladder)trans179.6153.3179.100000113.1L242 C263 P264G234-L242 PolarHBondContact N-O 2.97Å; G234-L242 PolarHBondContact O-N 3.4Å; G234-C263 VanDerWaalsContact C-SG 3.52Å; G234-C263 WeakPolarHBondContact CA-SG 3.31Å; G234-P264 WeakPolarHBondContact CA-O 3.35Å
235H76.8Confident77.4Confident13 Ų1351.4 Ų51.46%0.0628%0.276CS..EExtended strand (participates in β ladder)trans-78127.8172.3-74.6-80.2000110.5T241 I259 D262 C263 P264 K265 L266H235-T241 PolarHBondContact CE1-OG1 2.84Å; H235-T241 PolarHBondContact ND1-OG1 3.1Å; H235-I259 VanDerWaalsContact CE1-CD1 3.48Å; H235-I259 WeakPolarHBondContact CE1-CD1 3.46Å; H235-D262 IonicContact CD2-OD1 2.63Å; H235-D262 IonicContact NE2-OD1 3.59Å; H235-D262 PolarHBondContact NE2-OD1 3.34Å; H235-C263 PolarHBondContact CD2-O 2.81Å; H235-C263 PolarHBondContact CD2-SG 2.94Å; H235-P264 PolarHBondContact N-O 2.97Å; H235-K265 HydrophobicContact CB-CG 3.94Å; H235-L266 PolarHBondContact O-N 3.2Å
236V66.4Low76.9Confident46 Ų4653 Ų5328%0.27929%0.288SS..SBendtrans-75.7-47.1174.3-177.60000109.3W240 L242 I251 L271V236-W240 HydrophobicContact CB-CB 4.22Å; V236-W240 WeakPolarHBondContact CB-O 3.3Å; V236-W240 PolarHBondContact N-O 2.87Å; V236-L242 HydrophobicContact CG2-CB 4.29Å; V236-I251 HydrophobicContact CG2-CG2 3.77Å; V236-L271 HydrophobicContact CG1-CD2 3.83Å; V236-L271 HydrophobicContact CG2-CD1 3.77Å; V236-L271 HydrophobicContact CG2-CD2 4.39Å
237D67.6Low76.2Confident73 Ų7356.2 Ų56.239%0.3930%0.297SS..SBendtrans-152.9-163.1173.557.733.9000109E239 W240D237-E239 VanDerWaalsContact C-N 3.25Å; D237-E239 PolarHBondContact O-N 3.5Å; D237-E239 WeakPolarHBondContact OD1-CA 3.44Å; D237-E239 PolarHBondContact OD1-N 3.45Å; D237-W240 PolarHBondContact N-O 3.26Å; D237-W240 PolarHBondContact OD1-N 3.23Å
238D70.4Confident76.1Confident124 Ų12460.9 Ų60.966%0.66330%0.301SS*.SBendtrans-72.8-17.2-179.8-64.9-45.8000113.6K265D238-K265 WeakPolarHBondContact OD1-CE 3.07Å; D238-K265 IonicContact OD1-NZ 2.82Å; D238-K265 PolarHBondContact OD1-NZ 3.04Å
239E62Low76Confident138 Ų13859.1 Ų59.165%0.64530%0.299SS*.SBendtrans-108.7-23.9-174.8-62.1-168.9156.700113.1D237 P253 T254D237-E239 VanDerWaalsContact C-N 3.25Å; D237-E239 PolarHBondContact O-N 3.5Å; D237-E239 WeakPolarHBondContact OD1-CA 3.44Å; D237-E239 PolarHBondContact OD1-N 3.45Å; E239-P253 CarbonylContact O-C 3.5Å; E239-P253 VanDerWaalsContact O-CA 3.28Å; E239-P253 WeakPolarHBondContact O-CA 3.39Å; E239-T254 PolarHBondContact O-N 3.02Å; E239-T254 PolarHBondContact O-OG1 2.91Å
240W82.3Confident76.1Confident63 Ų6352.9 Ų52.924%0.23927%0.273CS..EExtended strand (participates in β ladder)trans-126.8134.7-173.7-64.688.6000113.3F214 E221 V236 D237 I251 P253 T254F214-W240 HydrophobicContact CZ-CH2 4.12Å; F214-W240 HydrophobicContact CZ-CZ3 4.11Å; E221-W240 HydrophobicContact CG-CZ3 4.23Å; V236-W240 HydrophobicContact CB-CB 4.22Å; V236-W240 WeakPolarHBondContact CB-O 3.3Å; V236-W240 PolarHBondContact N-O 2.87Å; D237-W240 PolarHBondContact N-O 3.26Å; D237-W240 PolarHBondContact OD1-N 3.23Å; W240-I251 HydrophobicContact CE3-CB 4.21Å; W240-I251 HydrophobicContact CE3-CD1 4.08Å; W240-I251 HydrophobicContact CE3-CG1 4.12Å; W240-I251 HydrophobicContact CZ3-CD1 4.49Å; W240-I251 HydrophobicContact CZ3-CG1 4.44Å; W240-P253 HydrophobicContact CE3-CG 4.25Å; W240-P253 HydrophobicContact CH2-CG 3.85Å; W240-P253 HydrophobicContact CZ2-CG 4.38Å; W240-P253 HydrophobicContact CZ3-CG 3.77Å; W240-T254 PolarHBondContact N-OG1 3.22Å
241T82.5Confident76.1Confident0 Ų055.2 Ų55.20%029%0.285CS..EExtended strand (participates in β ladder)trans-119.2133.4176.8-54.30000110.4L232 H235 I251 A252 T254L232-T241 HydrophobicContact CB-CG2 4.43Å; L232-T241 HydrophobicContact CD2-CG2 3.65Å; L232-T241 HydrophobicContact CG-CG2 3.84Å; H235-T241 PolarHBondContact CE1-OG1 2.84Å; H235-T241 PolarHBondContact ND1-OG1 3.1Å; T241-I251 WeakPolarHBondContact O-CA 3.47Å; T241-A252 PolarHBondContact N-O 3.49Å; T241-A252 PolarHBondContact O-N 3.31Å; T241-T254 PolarHBondContact N-OG1 3Å; T241-T254 PolarHBondContact OG1-OG1 2.81Å
242L80.6Confident76.2Confident5 Ų552.2 Ų52.23%0.02627%0.267CS..EExtended strand (participates in β ladder)trans-77.5122169.2-177.865.5000109.3I233 G234 V236 I251 L271 A274 I275I233-L242 HydrophobicContact CB-CD2 4.29Å; I233-L242 HydrophobicContact CB-CG 4.26Å; I233-L242 HydrophobicContact CD1-CG 4.4Å; I233-L242 HydrophobicContact CG2-CD2 4.12Å; I233-L242 PolarHBondContact N-O 3.23Å; G234-L242 PolarHBondContact N-O 2.97Å; G234-L242 PolarHBondContact O-N 3.4Å; V236-L242 HydrophobicContact CG2-CB 4.29Å; L242-I251 HydrophobicContact CB-CG2 4.49Å; L242-I251 HydrophobicContact CD1-CG2 4.06Å; L242-L271 HydrophobicContact CB-CD1 4.33Å; L242-L271 HydrophobicContact CD2-CD1 3.99Å; L242-A274 HydrophobicContact CD2-CB 3.74Å; L242-I275 HydrophobicContact CD1-CG1 4.34Å; L242-I275 HydrophobicContact CD2-CG1 4.14Å
243C84.1Confident76.5Confident0 Ų052.5 Ų52.50%027%0.269CS..EExtended strand (participates in β ladder)trans-137.8155.5-175.148.30000112.4L230 T231 A249 G250L230-C243 HydrophobicContact CB-CB 4.4Å; L230-C243 HydrophobicContact CD1-CB 3.71Å; L230-C243 HydrophobicContact CD2-CB 4.45Å; L230-C243 HydrophobicContact CG-CB 4.41Å; T231-C243 CarbonylContact O-C 3.48Å; T231-C243 VanDerWaalsContact O-CA 3.23Å; T231-C243 WeakPolarHBondContact O-CA 3.46Å; T231-C243 WeakPolarHBondContact O-CB 3.31Å; C243-A249 VanDerWaalsContact O-CA 3.22Å; C243-A249 WeakPolarHBondContact O-CA 3.33Å; C243-A249 WeakPolarHBondContact O-CB 3.42Å; C243-G250 PolarHBondContact N-O 3.02Å; C243-G250 PolarHBondContact O-N 3Å; C243-G250 PolarHBondContact SG-O 2.92Å; C243-G250 VanDerWaalsContact SG-O 3.37Å
244K82.2Confident76.5Confident43 Ų4351 Ų5119%0.18726%0.262CS..EExtended strand (participates in β ladder)trans-121.5126.7175.7-175174.5178.3177.10109.4T231 I233 D246 K248 A249 V278 E281T231-K244 PolarHBondContact N-O 3.42Å; T231-K244 PolarHBondContact O-N 2.83Å; I233-K244 HydrophobicContact CD1-CB 4.06Å; K244-D246 WeakPolarHBondContact CE-O 3.47Å; K244-D246 WeakPolarHBondContact CG-O 3.41Å; K244-K248 CarbonylContact C-O 3.54Å; K244-K248 WeakPolarHBondContact CA-O 3.38Å; K244-A249 HydrophobicContact CB-CB 3.98Å; K244-A249 HydrophobicContact CG-CB 4.19Å; K244-V278 HydrophobicContact CD-CG1 4.24Å; K244-E281 IonicContact NZ-OE2 3.46Å; K244-E281 PolarHBondContact NZ-OE2 3.37Å
245I79Confident76.9Confident14 Ų1454.7 Ų54.77%0.07229%0.288CS..EExtended strand (participates in β ladder)trans-116.1120.6168.9-68.2170.3000106.5L222 F224 L230 D247 K248L222-I245 HydrophobicContact CD2-CB 4.04Å; L222-I245 HydrophobicContact CD2-CD1 3.65Å; L222-I245 HydrophobicContact CD2-CG1 3.7Å; L222-I245 HydrophobicContact CG-CD1 4.23Å; F224-I245 HydrophobicContact CB-CD1 3.55Å; F224-I245 HydrophobicContact CD1-CD1 3.75Å; F224-I245 HydrophobicContact CG-CD1 4.01Å; L230-I245 HydrophobicContact CB-CD1 3.92Å; L230-I245 HydrophobicContact CB-CG1 3.4Å; L230-I245 HydrophobicContact CD2-CD1 4.21Å; I245-D247 PolarHBondContact O-N 3.41Å; I245-D247 VanDerWaalsContact O-N 3.16Å; I245-K248 PolarHBondContact N-O 3.29Å; I245-K248 PolarHBondContact O-N 2.83Å
246D74.1Confident77.3Confident140 Ų14058.1 Ų58.175%0.74930%0.301SS*.THydrogen-bonded Turntrans50.6-117.8-172.8-53.5-40.4000110.8K244K244-D246 WeakPolarHBondContact CE-O 3.47Å; K244-D246 WeakPolarHBondContact CG-O 3.41Å
247D66.7Low78Confident126 Ų12656.1 Ų56.167%0.67429%0.289SS*.THydrogen-bonded Turntrans-100.26.5178.5-68.8-36.6000114.1I245I245-D247 PolarHBondContact O-N 3.41Å; I245-D247 VanDerWaalsContact O-N 3.16Å
248K73.3Confident78.6Confident157 Ų15754.2 Ų54.268%0.68328%0.282SS*.EExtended strand (participates in β ladder)trans-107126.1177.5-64.9-178.8-177.8177.30109.9L222 K244 I245L222-K248 HydrophobicContact CD1-CB 3.74Å; K244-K248 CarbonylContact C-O 3.54Å; K244-K248 WeakPolarHBondContact CA-O 3.38Å; I245-K248 PolarHBondContact N-O 3.29Å; I245-K248 PolarHBondContact O-N 2.83Å
249A76.8Confident79.1Confident39 Ų3950.9 Ų50.932%0.32226%0.263SS..EExtended strand (participates in β ladder)trans-116.2151.2166.300000111.9C243 K244 V278C243-A249 VanDerWaalsContact O-CA 3.22Å; C243-A249 WeakPolarHBondContact O-CA 3.33Å; C243-A249 WeakPolarHBondContact O-CB 3.42Å; K244-A249 HydrophobicContact CB-CB 3.98Å; K244-A249 HydrophobicContact CG-CB 4.19Å; A249-V278 HydrophobicContact CB-CB 4Å; A249-V278 HydrophobicContact CB-CG1 3.29Å; A249-V278 HydrophobicContact CB-CG2 4.15Å
250G81.4Confident79.8Confident5 Ų549.3 Ų49.35%0.05225%0.254CS..EExtended strand (participates in β ladder)trans-174.4173.2176.500000109.8G220 C243G220-G250 CarbonylContact O-C 3.5Å; G220-G250 WeakPolarHBondContact O-CA 3.41Å; C243-G250 PolarHBondContact N-O 3.02Å; C243-G250 PolarHBondContact O-N 3Å; C243-G250 PolarHBondContact SG-O 2.92Å; C243-G250 VanDerWaalsContact SG-O 3.37Å
251I79.4Confident79.1Confident49 Ų4948 Ų4825%0.25125%0.253SS..EExtended strand (participates in β ladder)trans-81.5147.917459.4172.2000110.2G220 E221 L222 V236 W240 T241 L242G220-I251 WeakPolarHBondContact O-CG1 3.23Å; G220-I251 PolarHBondContact O-N 3.46Å; E221-I251 CarbonylContact C-O 3.51Å; E221-I251 VanDerWaalsContact CA-O 3.29Å; E221-I251 WeakPolarHBondContact CA-O 3.42Å; E221-I251 HydrophobicContact CG-CD1 4.44Å; E221-I251 HydrophobicContact CG-CG1 4.05Å; L222-I251 PolarHBondContact N-O 3Å; V236-I251 HydrophobicContact CG2-CG2 3.77Å; W240-I251 HydrophobicContact CE3-CB 4.21Å; W240-I251 HydrophobicContact CE3-CD1 4.08Å; W240-I251 HydrophobicContact CE3-CG1 4.12Å; W240-I251 HydrophobicContact CZ3-CD1 4.49Å; W240-I251 HydrophobicContact CZ3-CG1 4.44Å; T241-I251 WeakPolarHBondContact O-CA 3.47Å; L242-I251 HydrophobicContact CB-CG2 4.49Å; L242-I251 HydrophobicContact CD1-CG2 4.06Å
252A82.5Confident78.6Confident0 Ų053 Ų530%028%0.28CS..EExtended strand (participates in β ladder)trans-146.2156.1171.400000111.4F224 T241 T254 I257F224-A252 HydrophobicContact CD1-CB 4.48Å; F224-A252 HydrophobicContact CE1-CB 3.31Å; F224-A252 HydrophobicContact CZ-CB 3.72Å; T241-A252 PolarHBondContact N-O 3.49Å; T241-A252 PolarHBondContact O-N 3.31Å; A252-T254 PolarHBondContact O-N 3.11Å; A252-I257 HydrophobicContact CB-CD1 4.19Å
253P85Confident78.3Confident14 Ų1453.2 Ų53.29%0.09128%0.282CS..EExtended strand (participates in β ladder)trans-61.2125.3-179.2-21.332.4000110.5F214 E239 W240 S255 Y256F214-P253 HydrophobicContact CD2-CG 4.04Å; F214-P253 HydrophobicContact CE2-CG 3.66Å; F214-P253 HydrophobicContact CZ-CG 4.09Å; E239-P253 CarbonylContact O-C 3.5Å; E239-P253 VanDerWaalsContact O-CA 3.28Å; E239-P253 WeakPolarHBondContact O-CA 3.39Å; W240-P253 HydrophobicContact CE3-CG 4.25Å; W240-P253 HydrophobicContact CH2-CG 3.85Å; W240-P253 HydrophobicContact CZ2-CG 4.38Å; W240-P253 HydrophobicContact CZ3-CG 3.77Å; P253-S255 PolarHBondContact O-N 2.88Å; P253-Y256 HydrophobicContact CB-CD2 3.98Å; P253-Y256 HydrophobicContact CB-CG 4.26Å; P253-Y256 HydrophobicContact CG-CD2 4.39Å; P253-Y256 HydrophobicContact CG-CG 4.46Å; P253-Y256 WeakPolarHBondContact O-CB 3.41Å; P253-Y256 PolarHBondContact O-N 2.83Å
254T79.5Confident77.4Confident21 Ų2158 Ų5813%0.12931%0.313CS..G310 helixtrans-56.7-36177.9-550000111.2E239 W240 T241 A252 Y256 I257 I259E239-T254 PolarHBondContact O-N 3.02Å; E239-T254 PolarHBondContact O-OG1 2.91Å; W240-T254 PolarHBondContact N-OG1 3.22Å; T241-T254 PolarHBondContact N-OG1 3Å; T241-T254 PolarHBondContact OG1-OG1 2.81Å; A252-T254 PolarHBondContact O-N 3.11Å; T254-Y256 PolarHBondContact O-N 2.89Å; T254-I257 CarbonylContact O-C 3.59Å; T254-I257 WeakPolarHBondContact O-CA 3.16Å; T254-I257 PolarHBondContact O-N 3.04Å; T254-I259 HydrophobicContact CG2-CD1 3.75Å
255S81.5Confident76.8Confident78 Ų7862.5 Ų62.555%0.54533%0.333SS..G310 helixtrans-62-29177.259.30000113.6P253 I257P253-S255 PolarHBondContact O-N 2.88Å; S255-I257 PolarHBondContact O-N 3.43Å
256Y86.5Confident76Confident85 Ų8563.5 Ų63.533%0.33334%0.338SS..G310 helixtrans-80.6-5.8176.8-82.5-131.2000112T210 K211 Y212 F214 P253 T254T210-Y256 CarbonylContact C-O 3.57Å; T210-Y256 WeakPolarHBondContact CA-O 3.31Å; K211-Y256 PolarHBondContact N-O 2.83Å; Y212-Y256 HydrophobicContact CD2-CD1 4.19Å; Y212-Y256 HydrophobicContact CD2-CD2 4.25Å; Y212-Y256 HydrophobicContact CD2-CE1 4.35Å; Y212-Y256 HydrophobicContact CD2-CE2 4.39Å; Y212-Y256 HydrophobicContact CD2-CG 4.14Å; Y212-Y256 HydrophobicContact CG-CD1 4.48Å; Y212-Y256 HydrophobicContact CG-CE1 4.48Å; F214-Y256 HydrophobicContact CB-CD1 3.98Å; F214-Y256 HydrophobicContact CB-CE1 4.37Å; F214-Y256 HydrophobicContact CD2-CD1 4.14Å; F214-Y256 HydrophobicContact CD2-CE1 4.11Å; F214-Y256 HydrophobicContact CG-CD1 4.46Å; P253-Y256 HydrophobicContact CB-CD2 3.98Å; P253-Y256 HydrophobicContact CB-CG 4.26Å; P253-Y256 HydrophobicContact CG-CD2 4.39Å; P253-Y256 HydrophobicContact CG-CG 4.46Å; P253-Y256 WeakPolarHBondContact O-CB 3.41Å; P253-Y256 PolarHBondContact O-N 2.83Å; T254-Y256 PolarHBondContact O-N 2.89Å
257I80.8Confident75.3Confident4 Ų460.7 Ų60.72%0.02133%0.326CS..EExtended strand (participates in β ladder)trans-112.5127.5-177.9-55.1175.3000108.5F224 L230 L232 A252 T254 S255 I259F224-I257 HydrophobicContact CZ-CG1 4.47Å; L230-I257 HydrophobicContact CD1-CD1 4Å; L230-I257 HydrophobicContact CD1-CG2 3.82Å; L230-I257 HydrophobicContact CD2-CD1 3.88Å; L230-I257 HydrophobicContact CD2-CG1 3.96Å; L230-I257 HydrophobicContact CD2-CG2 4.36Å; L230-I257 HydrophobicContact CG-CG2 4.42Å; L232-I257 HydrophobicContact CD1-CG2 4.35Å; A252-I257 HydrophobicContact CB-CD1 4.19Å; T254-I257 CarbonylContact O-C 3.59Å; T254-I257 WeakPolarHBondContact O-CA 3.16Å; T254-I257 PolarHBondContact O-N 3.04Å; S255-I257 PolarHBondContact O-N 3.43Å; I257-I259 HydrophobicContact CG2-CG1 4.29Å; I257-I259 PolarHBondContact O-N 3.44Å
258S80.9Confident74.5Confident33 Ų3363.4 Ų63.423%0.23133%0.331CS..EExtended strand (participates in β ladder)trans-84.592.3165.2-166.70000107.7G208 I209 K260G208-S258 CarbonylContact C-O 3.58Å; G208-S258 WeakPolarHBondContact CA-O 3.42Å; I209-S258 PolarHBondContact N-O 2.89Å; I209-S258 WeakPolarHBondContact O-CB 3.41Å; I209-S258 PolarHBondContact O-N 3.24Å; S258-K260 PolarHBondContact O-N 3.32Å
259I79.2Confident73.8Confident55 Ų5560.3 Ų60.328%0.28233%0.33SS..EExtended strand (participates in β ladder)trans-65.1122.7178.2-51.1179.3000108.4L232 H235 T254 I257 D262L232-I259 HydrophobicContact CD2-CB 4.49Å; L232-I259 HydrophobicContact CD2-CD1 4.16Å; L232-I259 HydrophobicContact CD2-CG1 4Å; L232-I259 HydrophobicContact CD2-CG2 3.89Å; H235-I259 VanDerWaalsContact CE1-CD1 3.48Å; H235-I259 WeakPolarHBondContact CE1-CD1 3.46Å; T254-I259 HydrophobicContact CG2-CD1 3.75Å; I257-I259 HydrophobicContact CG2-CG1 4.29Å; I257-I259 PolarHBondContact O-N 3.44Å; I259-D262 HydrophobicContact CG2-CB 3.93Å
260K77.9Confident72.9Confident104 Ų10463.1 Ų63.145%0.45234%0.336SS..EExtended strand (participates in β ladder)trans-104.6-42.6178-64.8-60.5-174.6176.70111.4Y207 S258Y207-K260 HydrophobicContact CD2-CB 4.32Å; Y207-K260 HydrophobicContact CE2-CB 3.78Å; Y207-K260 HydrophobicContact CE2-CG 4.12Å; Y207-K260 PolarHBondContact O-N 3.48Å; S258-K260 PolarHBondContact O-N 3.32Å
261V66.8Low71.8Confident37 Ų3764.5 Ų64.522%0.22434%0.342CS..EExtended strand (participates in β ladder)trans-125.8116.9170-179.20000106.6P204 A206 Y207P204-V261 HydrophobicContact CB-CG1 4.09Å; P204-V261 HydrophobicContact CB-CG2 4.26Å; P204-V261 HydrophobicContact CG-CG1 3.95Å; A206-V261 CarbonylContact C-O 3.58Å; A206-V261 VanDerWaalsContact CA-O 3.25Å; A206-V261 WeakPolarHBondContact CA-O 3.36Å; A206-V261 HydrophobicContact CB-CG1 4.48Å; A206-V261 VanDerWaalsContact CB-O 3.32Å; A206-V261 WeakPolarHBondContact CB-O 3.43Å; Y207-V261 HydrophobicContact CD1-CB 4.07Å; Y207-V261 HydrophobicContact CD1-CG2 3.88Å; Y207-V261 HydrophobicContact CE1-CB 4.24Å; Y207-V261 HydrophobicContact CE1-CG2 3.53Å; Y207-V261 PolarHBondContact N-O 3.35Å; Y207-V261 PolarHBondContact O-N 3.46Å
262D73Confident70.7Confident105 Ų10569 Ų6956%0.56136%0.362SS*.  trans-78.8154.8-171.2-157.74.3000112.5A206 H235 I259A206-D262 WeakPolarHBondContact CB-O 3.34Å; H235-D262 IonicContact CD2-OD1 2.63Å; H235-D262 IonicContact NE2-OD1 3.59Å; H235-D262 PolarHBondContact NE2-OD1 3.34Å; I259-D262 HydrophobicContact CG2-CB 3.93Å
263C73.8Confident69.6Low9 Ų972.4 Ų72.46%0.06139%0.386CS..  trans-113155.3177.162.20000110.3A206 L232 G234 H235A206-C263 HydrophobicContact CB-CB 3.61Å; L232-C263 HydrophobicContact CB-CB 4Å; G234-C263 VanDerWaalsContact C-SG 3.52Å; G234-C263 WeakPolarHBondContact CA-SG 3.31Å; H235-C263 PolarHBondContact CD2-O 2.81Å; H235-C263 PolarHBondContact CD2-SG 2.94Å
264P66Low68.2Low101 Ų10172.5 Ų72.566%0.65639%0.388SS*.PPolyproline II helixtrans-67.1155.317626-31.9000112.2G234 H235G234-P264 WeakPolarHBondContact CA-O 3.35Å; H235-P264 PolarHBondContact N-O 2.97Å
265K68.4Low66.9Low137 Ų13775.1 Ų75.160%0.59640%0.4SS*.BIsolated β-bridgetrans-68.9130.6168.2-72.3-175.5172.1-172.70109.7H235 D238H235-K265 HydrophobicContact CB-CG 3.94Å; D238-K265 WeakPolarHBondContact OD1-CE 3.07Å; D238-K265 IonicContact OD1-NZ 2.82Å; D238-K265 PolarHBondContact OD1-NZ 3.04Å
266L63.3Low65.4Low35 Ų3574.2 Ų74.218%0.18340%0.398CS..PPolyproline II helixtrans-90.9137.8-179.8-65.4170.6000110.5H235 E270 L271 A274H235-L266 PolarHBondContact O-N 3.2Å; L266-E270 HydrophobicContact CB-CB 4.31Å; L266-E270 HydrophobicContact CD2-CB 3.86Å; L266-L271 HydrophobicContact CB-CB 4.41Å; L266-L271 HydrophobicContact CD1-CD1 4Å; L266-A274 HydrophobicContact CD1-CB 4.37Å
267T57.7Low63.9Low81 Ų8174.2 Ų74.250%0.49741%0.407SS..PPolyproline II helixtrans-73.2162.1164.262.40000110.7S269 E270 L271T267-S269 PolarHBondContact O-N 3.34Å; T267-S269 VanDerWaalsContact O-N 3.14Å; T267-E270 WeakPolarHBondContact CB-OE2 3.49Å; T267-E270 PolarHBondContact N-OE2 2.83Å; T267-E270 PolarHBondContact O-N 2.76Å; T267-E270 VanDerWaalsContact OG1-CD 3.24Å; T267-E270 WeakPolarHBondContact OG1-CG 3.48Å; T267-E270 PolarHBondContact OG1-OE2 3.41Å; T267-L271 PolarHBondContact O-N 3.41Å
268K50.3Low62.5Low182 Ų18274.9 Ų74.979%0.79141%0.411SS*.Hα-helixtrans-54.8-35.5-179.1-166.9174.9-177.8177.20113.1Q272K268-Q272 PolarHBondContact O-N 2.98Å
269S59.2Low60.6Low93 Ų9377.3 Ų77.365%0.6543%0.428SS*.Hα-helixtrans-71.7-41.6177.4-58.70000112.6T267 Q272 S273T267-S269 PolarHBondContact O-N 3.34Å; T267-S269 VanDerWaalsContact O-N 3.14Å; S269-Q272 PolarHBondContact O-N 3.44Å; S269-S273 PolarHBondContact O-N 2.87Å; S269-S273 VanDerWaalsContact O-N 3.16Å
270E58Low58.4Low98 Ų9885.2 Ų85.246%0.45845%0.454SS..Hα-helixtrans-69.4-37.4178.6-67.3165.2143.200111.6L266 T267 Q272 S273 A274L266-E270 HydrophobicContact CB-CB 4.31Å; L266-E270 HydrophobicContact CD2-CB 3.86Å; T267-E270 WeakPolarHBondContact CB-OE2 3.49Å; T267-E270 PolarHBondContact N-OE2 2.83Å; T267-E270 PolarHBondContact O-N 2.76Å; T267-E270 VanDerWaalsContact OG1-CD 3.24Å; T267-E270 WeakPolarHBondContact OG1-CG 3.48Å; T267-E270 PolarHBondContact OG1-OE2 3.41Å; E270-Q272 VanDerWaalsContact C-N 3.32Å; E270-Q272 PolarHBondContact O-N 2.71Å; E270-S273 PolarHBondContact O-N 3.36Å; E270-A274 WeakPolarHBondContact O-CB 3.49Å; E270-A274 PolarHBondContact O-N 2.98Å
271L58.5Low56.3Low33 Ų3387 Ų8717%0.17346%0.464CS..Hα-helixtrans-59.2-44.9174.4-17669.3000111.6V236 L242 L266 T267 S273 A274 I275V236-L271 HydrophobicContact CG1-CD2 3.83Å; V236-L271 HydrophobicContact CG2-CD1 3.77Å; V236-L271 HydrophobicContact CG2-CD2 4.39Å; L242-L271 HydrophobicContact CB-CD1 4.33Å; L242-L271 HydrophobicContact CD2-CD1 3.99Å; L266-L271 HydrophobicContact CB-CB 4.41Å; L266-L271 HydrophobicContact CD1-CD1 4Å; T267-L271 PolarHBondContact O-N 3.41Å; L271-S273 VanDerWaalsContact C-N 3.31Å; L271-S273 PolarHBondContact O-N 3.4Å; L271-A274 PolarHBondContact O-N 3.18Å; L271-I275 HydrophobicContact CD1-CD1 4.32Å; L271-I275 HydrophobicContact CG-CD1 4Å; L271-I275 WeakPolarHBondContact O-CG1 3.32Å; L271-I275 PolarHBondContact O-N 3.12Å
272Q56.3Low54.6Low143 Ų14389 Ų8967%0.66848%0.48SS*.Hα-helixtrans-65.6-37.3-179.9-152.3163.46.800111.3K268 S269 E270 A276K268-Q272 PolarHBondContact O-N 2.98Å; S269-Q272 PolarHBondContact O-N 3.44Å; E270-Q272 VanDerWaalsContact C-N 3.32Å; E270-Q272 PolarHBondContact O-N 2.71Å; Q272-A276 VanDerWaalsContact O-CB 3.32Å; Q272-A276 WeakPolarHBondContact O-CB 3.4Å; Q272-A276 PolarHBondContact O-N 3.01Å
273S58.2Low52.2Low72 Ų7289.3 Ų89.350%0.50349%0.49SS..Hα-helixtrans-66.6-42.8171.5-170.70000112.4S269 E270 L271 A276 T277S269-S273 PolarHBondContact O-N 2.87Å; S269-S273 VanDerWaalsContact O-N 3.16Å; E270-S273 PolarHBondContact O-N 3.36Å; L271-S273 VanDerWaalsContact C-N 3.31Å; L271-S273 PolarHBondContact O-N 3.4Å; S273-A276 PolarHBondContact O-N 2.87Å; S273-T277 WeakPolarHBondContact O-CB 3.47Å; S273-T277 PolarHBondContact O-N 3.24Å; S273-T277 PolarHBondContact O-OG1 2.95Å
274A55.8Low49.7Very low16 Ų1694.6 Ų94.613%0.13253%0.526CS..Hα-helixtrans-63.1-44.8179.800000111.1I233 L242 L266 E270 L271 T277 V278I233-A274 HydrophobicContact CG2-CB 4.08Å; L242-A274 HydrophobicContact CD2-CB 3.74Å; L266-A274 HydrophobicContact CD1-CB 4.37Å; E270-A274 WeakPolarHBondContact O-CB 3.49Å; E270-A274 PolarHBondContact O-N 2.98Å; L271-A274 PolarHBondContact O-N 3.18Å; A274-T277 PolarHBondContact O-N 3.47Å; A274-V278 WeakPolarHBondContact O-CG2 3.45Å; A274-V278 PolarHBondContact O-N 3.43Å; A274-V278 VanDerWaalsContact O-N 3.11Å
275I52.7Low47.8Very low76 Ų7695.2 Ų95.239%0.3953%0.533SS..Hα-helixtrans-62.6-47.2175.1-65.2168.2000110.5L242 L271 T277 V278 S279L242-I275 HydrophobicContact CD1-CG1 4.34Å; L242-I275 HydrophobicContact CD2-CG1 4.14Å; L271-I275 HydrophobicContact CD1-CD1 4.32Å; L271-I275 HydrophobicContact CG-CD1 4Å; L271-I275 WeakPolarHBondContact O-CG1 3.32Å; L271-I275 PolarHBondContact O-N 3.12Å; I275-T277 VanDerWaalsContact C-N 3.26Å; I275-T277 PolarHBondContact O-N 2.91Å; I275-V278 PolarHBondContact O-N 2.9Å; I275-V278 VanDerWaalsContact O-N 3.14Å; I275-S279 PolarHBondContact O-N 3.4Å; I275-S279 PolarHBondContact O-OG 2.78Å
276A51Low45.7Very low59 Ų5998.4 Ų98.449%0.48855%0.55SS..Hα-helixtrans-60-36.7177.900000112.7Q272 S273 R280Q272-A276 VanDerWaalsContact O-CB 3.32Å; Q272-A276 WeakPolarHBondContact O-CB 3.4Å; Q272-A276 PolarHBondContact O-N 3.01Å; S273-A276 PolarHBondContact O-N 2.87Å; A276-R280 PolarHBondContact O-N 2.93Å
277T54.8Low43.7Very low85 Ų85100.6 Ų100.652%0.52158%0.581SS.*Hα-helixtrans-64.9-42.4176.8-50.90000110.8S273 A274 I275S273-T277 WeakPolarHBondContact O-CB 3.47Å; S273-T277 PolarHBondContact O-N 3.24Å; S273-T277 PolarHBondContact O-OG1 2.95Å; A274-T277 PolarHBondContact O-N 3.47Å; I275-T277 VanDerWaalsContact C-N 3.26Å; I275-T277 PolarHBondContact O-N 2.91Å
278V50.6Low42Very low19 Ų19101.7 Ų101.712%0.11559%0.592CS.*Hα-helixtrans-76-35.7-179.2-1730000112.5I233 K244 A249 A274 I275 R280 E281I233-V278 HydrophobicContact CD1-CG2 3.79Å; K244-V278 HydrophobicContact CD-CG1 4.24Å; A249-V278 HydrophobicContact CB-CB 4Å; A249-V278 HydrophobicContact CB-CG1 3.29Å; A249-V278 HydrophobicContact CB-CG2 4.15Å; A274-V278 WeakPolarHBondContact O-CG2 3.45Å; A274-V278 PolarHBondContact O-N 3.43Å; A274-V278 VanDerWaalsContact O-N 3.11Å; I275-V278 PolarHBondContact O-N 2.9Å; I275-V278 VanDerWaalsContact O-N 3.14Å; V278-R280 PolarHBondContact O-N 3.18Å; V278-E281 PolarHBondContact O-N 2.87Å
279S40.6Very low40.8Very low84 Ų84102.4 Ų102.459%0.58760%0.597SS**Hα-helixtrans-67.3-21179-61.80000113.9I275I275-S279 PolarHBondContact O-N 3.4Å; I275-S279 PolarHBondContact O-OG 2.78Å
280R34Very low39.1Very low221 Ų221103 Ų10383%0.83461%0.608SS**THydrogen-bonded Turntrans-83.3-11-177-128.4171.572.4152.51.8114.6A276 V278A276-R280 PolarHBondContact O-N 2.93Å; V278-R280 PolarHBondContact O-N 3.18Å
281E33.6Very low37.4Very low140 Ų140102.1 Ų102.165%0.65463%0.625SS**THydrogen-bonded Turntrans-86.2-5.9177.3-69.7-177.9161.100113.1K244 V278K244-E281 IonicContact NZ-OE2 3.46Å; K244-E281 PolarHBondContact NZ-OE2 3.37Å; V278-E281 PolarHBondContact O-N 2.87Å
282S30Very low35.8Very low80 Ų80106.2 Ų106.256%0.55966%0.657SS**  trans-104.810.7-163.1-43.50000117.3
283S22.9Very low34.4Very low111 Ų111106.3 Ų106.378%0.77667%0.667SS**  trans-10291-177.662.20000113.7
284C21.2Very low32.8Very low120 Ų120112 Ų11281%0.81169%0.686SS**  trans-151.3121.6147.8-148.60000113.5
285S26.8Very low31.3Very low114 Ų114114.3 Ų114.380%0.79771%0.711SS**  trans56.599.9158.156.90000120.7
286Q23.6Very low30.3Very low205 Ų205117.2 Ų117.296%0.95874%0.735SS**  trans-72.1142.8157.1-68.9174.2-33.900111.6
287G22Very low29.4Very low81 Ų81122.3 Ų122.384%0.83575%0.752SS**  trans-159.292.5169.900000110.3
288S21.7Very low28.3Very low104 Ų104120.7 Ų120.773%0.72775%0.747SS**  trans-75.1135.1176.948.60000112.3
289H25.9Very low28Very low196 Ų196124.9 Ų124.991%0.90777%0.769SS**  trans-156.5111.8142.8-92.4-60.8000110.1
290A23.6Very low28.7Very low106 Ų106128 Ų12888%0.87677%0.774SS**  trans-90.3141.7166.700000109.1
291G22.7Very low30.1Very low79 Ų79119.9 Ų119.981%0.81475%0.751SS**  trans-155.1101.617400000109.9
292S24.4Very low31.5Very low119 Ų119117.3 Ų117.383%0.83274%0.736SS**  trans-92.5133.6172.8490000109.9
293T26.5Very low33.7Very low145 Ų145116.9 Ų116.989%0.8973%0.73SS**  trans-128.5112.5171.8-42.90000108.9
294E25.1Very low36.4Very low193 Ų193114 Ų11490%0.90272%0.718SS**PPolyproline II helixtrans-76.3144.6176.3-70.7174.6143.400111.5
295G23.9Very low39.4Very low63 Ų63114.8 Ų114.865%0.64970%0.704SS**PPolyproline II helixtrans-103.2162.8175.800000113.3
296P30.8Very low42.3Very low138 Ų138112 Ų11290%0.89668%0.679SS**PPolyproline II helixtrans-84.1150.2-157.533.1-34.1000115
297I32.7Very low45.5Very low166 Ų166102.9 Ų102.985%0.85164%0.637SS**PPolyproline II helixtrans-90.7127.7-171.2-61.9163.5000110.5
298A32.9Very low48.9Very low50 Ų50103.6 Ų103.641%0.41361%0.614SS.*PPolyproline II helixtrans-78.2142.6175.500000112.5Q300A298-Q300 PolarHBondContact O-N 3.03Å
299D43.7Very low52.1Low108 Ų10898.7 Ų98.758%0.57858%0.58SS**PPolyproline II helixtrans-68.2117.5-176.1-179.121.9000112.6S301D299-S301 VanDerWaalsContact C-N 3.3Å; D299-S301 PolarHBondContact O-N 3.18Å; D299-S301 WeakPolarHBondContact OD1-CB 3.29Å; D299-S301 PolarHBondContact OD1-N 3.01Å; D299-S301 PolarHBondContact OD2-OG 3.14Å
300Q54.1Low55Low149 Ų14990.6 Ų90.670%0.69655%0.547SS*.  trans-86.113-175.7-66.9-173.65.300114.3A298 Y302 V303A298-Q300 PolarHBondContact O-N 3.03Å; Q300-Y302 PolarHBondContact O-N 3.3Å; Q300-V303 PolarHBondContact O-N 3Å
301S64.9Low57.9Low50 Ų5092.6 Ų92.635%0.3553%0.533SS..THydrogen-bonded Turntrans-63.5-13.1-170.163.70000116.4D299D299-S301 VanDerWaalsContact C-N 3.3Å; D299-S301 PolarHBondContact O-N 3.18Å; D299-S301 WeakPolarHBondContact OD1-CB 3.29Å; D299-S301 PolarHBondContact OD1-N 3.01Å; D299-S301 PolarHBondContact OD2-OG 3.14Å
302Y62.1Low61.1Low86 Ų8693.4 Ų93.434%0.33752%0.518SS..THydrogen-bonded Turntrans-89.7-17.4-179.1-60-79.8000115Q300 G304 R305 V331 V334Q300-Y302 PolarHBondContact O-N 3.3Å; Y302-G304 PolarHBondContact O-N 3.08Å; Y302-R305 PolarHBondContact O-N 3.27Å; Y302-V331 WeakPolarHBondContact O-CB 3.34Å; Y302-V334 HydrophobicContact CD2-CG2 4.21Å
303V77Confident64.1Low72 Ų7288.9 Ų88.944%0.43648%0.484SS..THydrogen-bonded Turntrans-63.6129.6-173.2179.70000111Q300 T332 V334Q300-V303 PolarHBondContact O-N 3Å; V303-T332 WeakPolarHBondContact CG1-O 3.31Å; V303-V334 HydrophobicContact CG2-CG2 4.01Å
304G79.6Confident66.7Low50 Ų5086.1 Ų86.152%0.51547%0.469SS..THydrogen-bonded Turntrans89.8-13178.700000115.3Y302 V331Y302-G304 PolarHBondContact O-N 3.08Å; G304-V331 WeakPolarHBondContact CA-O 3.33Å; G304-V331 PolarHBondContact N-O 3.43Å
305R84.3Confident68.6Low137 Ų13779.8 Ų79.852%0.51745%0.446SS..  trans-74.5142-179.4-68.5-174178.3177.91.8111.9Y302 V331Y302-R305 PolarHBondContact O-N 3.27Å; R305-V331 PolarHBondContact O-N 2.85Å
306I87.7Confident70.4Confident56 Ų5680.1 Ų80.129%0.28745%0.45SS..EExtended strand (participates in β ladder)trans-87.5129.6167.2-59.1174.6000108Y328 V329 R330 L345 L361I306-Y328 HydrophobicContact CG2-CD1 4.13Å; I306-V329 CarbonylContact C-O 3.56Å; I306-V329 WeakPolarHBondContact CA-O 3.44Å; I306-R330 HydrophobicContact CG1-CB 4.38Å; I306-R330 HydrophobicContact CG1-CG 4.38Å; I306-L345 HydrophobicContact CD1-CD1 4.01Å; I306-L345 HydrophobicContact CG1-CD1 4.23Å; I306-L345 HydrophobicContact CG2-CD1 3.86Å; I306-L361 HydrophobicContact CG2-CD1 4.24Å
307M90.8Very high71.9Confident13 Ų1377.9 Ų77.96%0.06443%0.434CS..EExtended strand (participates in β ladder)trans-127153.6-179.7-64.7-169.568.700110.2Y328 V329 V331 L358M307-Y328 WeakPolarHBondContact O-CA 3.45Å; M307-V329 HydrophobicContact CB-CG2 4.32Å; M307-V329 PolarHBondContact N-O 3.36Å; M307-V329 PolarHBondContact O-N 3.29Å; M307-V331 HydrophobicContact SD-CG2 4.11Å; M307-L358 HydrophobicContact CB-CB 4.15Å; M307-L358 HydrophobicContact CB-CD1 4.46Å; M307-L358 HydrophobicContact CE-CB 3.31Å; M307-L358 HydrophobicContact CE-CD1 4.45Å; M307-L358 HydrophobicContact SD-CB 3.84Å; M307-L358 HydrophobicContact SD-CD1 3.87Å
308R92.4Very high73.6Confident96 Ų9677.6 Ų77.636%0.36244%0.44SS..EExtended strand (participates in β ladder)trans-93.5135.4174.2-171.8-174.972.8153-5.8109.6A310 D326 Y328 A359 L361R308-A310 PolarHBondContact O-N 3.23Å; R308-D326 WeakPolarHBondContact CD-OD1 3.31Å; R308-D326 IonicContact CZ-OD1 2.89Å; R308-D326 IonicContact NE-OD1 3.56Å; R308-D326 IonicContact NH1-OD1 3.54Å; R308-D326 PolarHBondContact NH1-OD1 2.89Å; R308-Y328 HydrophobicContact CB-CE1 4.39Å; R308-A359 PolarHBondContact N-O 3.49Å; R308-A359 PolarHBondContact O-N 2.93Å; R308-L361 HydrophobicContact CB-CD2 4.18Å
309V89.5Confident75.8Confident0 Ų077.4 Ų77.40%044%0.442CS..EExtended strand (participates in β ladder)trans-74.9118.7174.91780000108.8Y311 A323 L324 D326 D327 V329 I353 L358V309-Y311 WeakPolarHBondContact CG1-O 3.35Å; V309-A323 HydrophobicContact CG1-CB 4.28Å; V309-A323 HydrophobicContact CG2-CB 3.82Å; V309-L324 WeakPolarHBondContact CB-O 3.33Å; V309-L324 VanDerWaalsContact CG1-O 3.31Å; V309-L324 WeakPolarHBondContact CG1-O 3.43Å; V309-D326 PolarHBondContact O-N 3.46Å; V309-D327 HydrophobicContact CB-CB 4.48Å; V309-D327 HydrophobicContact CG2-CB 4.3Å; V309-D327 WeakPolarHBondContact CG2-O 3.48Å; V309-D327 PolarHBondContact N-O 2.69Å; V309-V329 HydrophobicContact CG2-CG1 3.59Å; V309-V329 HydrophobicContact CG2-CG2 4.15Å; V309-I353 HydrophobicContact CG2-CD1 4.46Å; V309-L358 HydrophobicContact CG2-CD2 4.01Å
310A86Confident77.9Confident27 Ų2773.5 Ų73.522%0.22342%0.422CS..  trans-86.3-23.5-17500000113.2R308 T325 Y357 A359R308-A310 PolarHBondContact O-N 3.23Å; A310-T325 WeakPolarHBondContact O-CG2 3.3Å; A310-Y357 PolarHBondContact N-O 2.95Å; A310-A359 HydrophobicContact CB-CB 4.18Å
311Y85.1Confident79.6Confident148 Ų14866.5 Ų66.558%0.5839%0.389SS*.SBendtrans-143.3147.3-178.5-56.2-75.3000110.1V309 F313 T325V309-Y311 WeakPolarHBondContact CG1-O 3.35Å; Y311-F313 PolarHBondContact O-N 2.89Å; Y311-T325 WeakPolarHBondContact CA-OG1 3.41Å
312D88.7Confident80.6Confident95 Ų9566.5 Ų66.551%0.50839%0.387SS..  trans-57.8123.5174.7-63-16.6000110.2L324 T325D312-L324 HydrophobicContact CB-CD2 4.37Å; D312-T325 PolarHBondContact N-OG1 3.38Å; D312-T325 VanDerWaalsContact OD1-CB 3.31Å; D312-T325 WeakPolarHBondContact OD1-CB 3.38Å; D312-T325 PolarHBondContact OD1-N 3.38Å; D312-T325 PolarHBondContact OD1-OG1 3.33Å
313F87.9Confident81.8Confident25 Ų2562.4 Ų62.411%0.1137%0.371CS..BIsolated β-bridgetrans-121.3104.7174.7-169.9-114.9000108.5Y311 D320 L321 T322 A323 W339 I352 I353 P354 Y357Y311-F313 PolarHBondContact O-N 2.89Å; F313-D320 HydrophobicContact CE1-CB 4.11Å; F313-D320 HydrophobicContact CZ-CB 4.4Å; F313-L321 WeakPolarHBondContact CD1-O 3.26Å; F313-T322 CarbonylContact O-C 3.48Å; F313-T322 WeakPolarHBondContact O-CA 3.44Å; F313-A323 PolarHBondContact N-O 2.89Å; F313-A323 PolarHBondContact O-N 2.93Å; F313-A323 VanDerWaalsContact O-O 3.13Å; F313-W339 HydrophobicContact CZ-CH2 4.3Å; F313-W339 HydrophobicContact CZ-CZ3 4.1Å; F313-I352 WeakPolarHBondContact CE1-O 3.46Å; F313-I353 HydrophobicContact CB-CD1 3.88Å; F313-I353 HydrophobicContact CB-CG1 4.3Å; F313-I353 HydrophobicContact CD1-CB 4.06Å; F313-I353 HydrophobicContact CD1-CD1 3.83Å; F313-I353 HydrophobicContact CD1-CG1 3.58Å; F313-I353 HydrophobicContact CE1-CB 4.26Å; F313-I353 HydrophobicContact CE1-CG1 4.16Å; F313-I353 HydrophobicContact CG-CD1 4.09Å; F313-I353 HydrophobicContact CG-CG1 3.99Å; F313-P354 HydrophobicContact CE2-CG 4.08Å; F313-P354 HydrophobicContact CZ-CG 4.32Å; F313-Y357 HydrophobicContact CB-CD1 3.77Å; F313-Y357 HydrophobicContact CB-CE1 4.14Å; F313-Y357 AromaticContact CD2-CD1 3.94Å; F313-Y357 HydrophobicContact CD2-CD1 3.94Å; F313-Y357 AromaticContact CD2-CE1 3.79Å; F313-Y357 HydrophobicContact CD2-CE1 3.79Å; F313-Y357 HydrophobicContact CD2-CG 4.49Å; F313-Y357 HydrophobicContact CG-CD1 4.18Å; F313-Y357 HydrophobicContact CG-CE1 4.4Å
314C82.3Confident82.3Confident86 Ų8662.8 Ų62.858%0.58137%0.37SS*.  trans-101.1130.4178.6-63.50000109.5G316C314-G316 PolarHBondContact O-N 2.7Å
315S65.3Low82.6Confident60 Ų6063.2 Ų63.242%0.4236%0.363SS..  trans-57.3119.9-178.3630000112D320 T322S315-D320 WeakPolarHBondContact CB-O 3.38Å; S315-T322 WeakPolarHBondContact CB-OG1 3.39Å; S315-T322 PolarHBondContact N-OG1 3.45Å; S315-T322 PolarHBondContact OG-OG1 3.31Å; S315-T322 VanDerWaalsContact OG-OG1 3.12Å
316G61.2Low82.6Confident71 Ų7160.9 Ų60.973%0.73236%0.361SS*.SBendtrans-91-23.3170.300000112.4C314 D320C314-G316 PolarHBondContact O-N 2.7Å; G316-D320 PolarHBondContact N-OD2 3.47Å
317T60.8Low82.8Confident91 Ų9158.9 Ų58.956%0.55835%0.351SS*.SBendtrans-134.7159.4-177.865.80000112.2G319 D320T317-G319 PolarHBondContact O-N 2.89Å; T317-D320 PolarHBondContact N-OD2 2.82Å; T317-D320 PolarHBondContact O-N 3.39Å; T317-D320 VanDerWaalsContact OG1-CG 3.25Å; T317-D320 PolarHBondContact OG1-OD1 2.84Å; T317-D320 PolarHBondContact OG1-OD2 3.18Å
318V70.2Confident82.8Confident160 Ų16063.4 Ų63.497%0.9737%0.368SS*.THydrogen-bonded Turntrans-65.3108.4174.9179.30000108.6
319G78.3Confident82.8Confident45 Ų4558.9 Ų58.946%0.46435%0.35SS..THydrogen-bonded Turntrans128.1-21.4-178.800000113.8T317 G351 I352T317-G319 PolarHBondContact O-N 2.89Å; G319-G351 CarbonylContact O-C 3.1Å; G319-G351 WeakPolarHBondContact O-CA 3.35Å; G319-I352 PolarHBondContact O-N 2.89Å
320D88.5Confident83Confident27 Ų2764.4 Ų64.414%0.14437%0.371CS..BIsolated β-bridgetrans-71140.3175.4-61.7-29.3000110.9F313 S315 G316 T317 I352F313-D320 HydrophobicContact CE1-CB 4.11Å; F313-D320 HydrophobicContact CZ-CB 4.4Å; S315-D320 WeakPolarHBondContact CB-O 3.38Å; G316-D320 PolarHBondContact N-OD2 3.47Å; T317-D320 PolarHBondContact N-OD2 2.82Å; T317-D320 PolarHBondContact O-N 3.39Å; T317-D320 VanDerWaalsContact OG1-CG 3.25Å; T317-D320 PolarHBondContact OG1-OD1 2.84Å; T317-D320 PolarHBondContact OG1-OD2 3.18Å; D320-I352 WeakPolarHBondContact OD1-CG1 3.25Å
321L88.9Confident83.3Confident2 Ų263.2 Ų63.21%0.0136%0.361CS..  trans-80119.7176.7-179.163.9000110.3F313 A323 V329 A342 N344 R349 I352 I353F313-L321 WeakPolarHBondContact CD1-O 3.26Å; L321-A323 HydrophobicContact CD2-CB 4.45Å; L321-A323 HydrophobicContact CG-CB 4.36Å; L321-A323 PolarHBondContact O-N 2.84Å; L321-V329 HydrophobicContact CD2-CB 4.49Å; L321-V329 HydrophobicContact CD2-CG1 3.84Å; L321-A342 HydrophobicContact CD2-CB 4.06Å; L321-N344 HydrophobicContact CD1-CB 4.04Å; L321-N344 HydrophobicContact CD2-CB 4.44Å; L321-R349 HydrophobicContact CD1-CB 4.36Å; L321-R349 WeakPolarHBondContact CD1-O 3.35Å; L321-I352 PolarHBondContact N-O 3.39Å; L321-I353 HydrophobicContact CB-CB 4.35Å; L321-I353 HydrophobicContact CD2-CB 4.42Å; L321-I353 HydrophobicContact CD2-CG2 4.27Å
322T86.2Confident83.4Confident49 Ų4959 Ų5930%0.30135%0.351SS..  trans-79114.6167.3-59.60000110.1F313 S315F313-T322 CarbonylContact O-C 3.48Å; F313-T322 WeakPolarHBondContact O-CA 3.44Å; S315-T322 WeakPolarHBondContact CB-OG1 3.39Å; S315-T322 PolarHBondContact N-OG1 3.45Å; S315-T322 PolarHBondContact OG-OG1 3.31Å; S315-T322 VanDerWaalsContact OG-OG1 3.12Å
323A88.1Confident83.4Confident1 Ų159.9 Ų59.91%0.00835%0.35CS..BIsolated β-bridgetrans-142.7135.7176.400000110.9V309 F313 L321 V329 I353V309-A323 HydrophobicContact CG1-CB 4.28Å; V309-A323 HydrophobicContact CG2-CB 3.82Å; F313-A323 PolarHBondContact N-O 2.89Å; F313-A323 PolarHBondContact O-N 2.93Å; F313-A323 VanDerWaalsContact O-O 3.13Å; L321-A323 HydrophobicContact CD2-CB 4.45Å; L321-A323 HydrophobicContact CG-CB 4.36Å; L321-A323 PolarHBondContact O-N 2.84Å; A323-V329 HydrophobicContact CB-CG1 4.24Å; A323-I353 HydrophobicContact CB-CD1 4.34Å
324L86.6Confident83.4Confident80 Ų8060 Ų6042%0.41935%0.353SS..  trans-94.7160.1-179.9-61.6177.1000110.6V309 D312 D326 D327V309-L324 WeakPolarHBondContact CB-O 3.33Å; V309-L324 VanDerWaalsContact CG1-O 3.31Å; V309-L324 WeakPolarHBondContact CG1-O 3.43Å; D312-L324 HydrophobicContact CB-CD2 4.37Å; L324-D326 PolarHBondContact O-N 3.47Å; L324-D327 PolarHBondContact N-OD2 2.8Å; L324-D327 VanDerWaalsContact O-CB 3.22Å; L324-D327 WeakPolarHBondContact O-CB 3.22Å; L324-D327 PolarHBondContact O-N 2.99Å
325T86.8Confident83.2Confident58 Ų5859.8 Ų59.836%0.35635%0.346SS..THydrogen-bonded Turntrans-52.2136.8173.5-52.70000109.9A310 Y311 D312 D327A310-T325 WeakPolarHBondContact O-CG2 3.3Å; Y311-T325 WeakPolarHBondContact CA-OG1 3.41Å; D312-T325 PolarHBondContact N-OG1 3.38Å; D312-T325 VanDerWaalsContact OD1-CB 3.31Å; D312-T325 WeakPolarHBondContact OD1-CB 3.38Å; D312-T325 PolarHBondContact OD1-N 3.38Å; D312-T325 PolarHBondContact OD1-OG1 3.33Å; T325-D327 PolarHBondContact O-N 2.89Å
326D84.5Confident84Confident89 Ų8960.2 Ų60.248%0.47634%0.343SS..THydrogen-bonded Turntrans67.27.7-173.6-63.8-47.5000116.3R308 V309 L324R308-D326 WeakPolarHBondContact CD-OD1 3.31Å; R308-D326 IonicContact CZ-OD1 2.89Å; R308-D326 IonicContact NE-OD1 3.56Å; R308-D326 IonicContact NH1-OD1 3.54Å; R308-D326 PolarHBondContact NH1-OD1 2.89Å; V309-D326 PolarHBondContact O-N 3.46Å; L324-D326 PolarHBondContact O-N 3.47Å
327D90.7Very high84.9Confident14 Ų1463.6 Ų63.68%0.07535%0.345CS..  trans-70.6154.4162.4-75.5-15.5000110.7V309 L324 T325 N344 K346V309-D327 HydrophobicContact CB-CB 4.48Å; V309-D327 HydrophobicContact CG2-CB 4.3Å; V309-D327 WeakPolarHBondContact CG2-O 3.48Å; V309-D327 PolarHBondContact N-O 2.69Å; L324-D327 PolarHBondContact N-OD2 2.8Å; L324-D327 VanDerWaalsContact O-CB 3.22Å; L324-D327 WeakPolarHBondContact O-CB 3.22Å; L324-D327 PolarHBondContact O-N 2.99Å; T325-D327 PolarHBondContact O-N 2.89Å; D327-N344 PolarHBondContact OD2-ND2 3.19Å; D327-K346 WeakPolarHBondContact OD1-CD 3.42Å; D327-K346 IonicContact OD1-NZ 2.96Å; D327-K346 PolarHBondContact OD1-NZ 2.67Å
328Y91.8Very high85.9Confident108 Ų10862.6 Ų62.642%0.42434%0.342SS..EExtended strand (participates in β ladder)trans-105.8128.7175.2-66.6-91.7000110.3I306 M307 R308 L345 L361I306-Y328 HydrophobicContact CG2-CD1 4.13Å; M307-Y328 WeakPolarHBondContact O-CA 3.45Å; R308-Y328 HydrophobicContact CB-CE1 4.39Å; Y328-L345 WeakPolarHBondContact O-CB 3.48Å; Y328-L345 WeakPolarHBondContact O-CG 3.5Å; Y328-L345 PolarHBondContact O-N 2.94Å; Y328-L361 HydrophobicContact CD1-CD1 4.1Å; Y328-L361 HydrophobicContact CE1-CD1 3.96Å; Y328-L361 HydrophobicContact CE1-CD2 4Å
329V92.2Very high86.7Confident0 Ų059.2 Ų59.20%031%0.311CS..EExtended strand (participates in β ladder)trans-120.5142.8178.2-59.60000110.3I306 M307 V309 L321 A323 A342 V343 N344 L358I306-V329 CarbonylContact C-O 3.56Å; I306-V329 WeakPolarHBondContact CA-O 3.44Å; M307-V329 HydrophobicContact CB-CG2 4.32Å; M307-V329 PolarHBondContact N-O 3.36Å; M307-V329 PolarHBondContact O-N 3.29Å; V309-V329 HydrophobicContact CG2-CG1 3.59Å; V309-V329 HydrophobicContact CG2-CG2 4.15Å; L321-V329 HydrophobicContact CD2-CB 4.49Å; L321-V329 HydrophobicContact CD2-CG1 3.84Å; A323-V329 HydrophobicContact CB-CG1 4.24Å; V329-A342 HydrophobicContact CB-CB 4.09Å; V329-A342 HydrophobicContact CG2-CB 4.27Å; V329-V343 CarbonylContact C-O 3.55Å; V329-V343 VanDerWaalsContact CA-O 3.24Å; V329-V343 WeakPolarHBondContact CA-O 3.45Å; V329-N344 HydrophobicContact CG1-CB 4.06Å; V329-L358 HydrophobicContact CG2-CD1 4.2Å; V329-L358 HydrophobicContact CG2-CD2 3.45Å; V329-L358 VanDerWaalsContact CG2-CD2 3.45Å; V329-L358 HydrophobicContact CG2-CG 4.47Å
330R92.8Very high87.4Confident117 Ų11757.1 Ų57.144%0.44229%0.29SS..EExtended strand (participates in β ladder)trans-102.1119.7171.3-174.2-175.8-62.9141.90.1109.2I306 T332 A342 V343 L345I306-R330 HydrophobicContact CG1-CB 4.38Å; I306-R330 HydrophobicContact CG1-CG 4.38Å; R330-T332 PolarHBondContact O-N 2.76Å; R330-A342 CarbonylContact O-C 3.24Å; R330-A342 VanDerWaalsContact O-CA 3.23Å; R330-A342 WeakPolarHBondContact O-CA 3.29Å; R330-A342 WeakPolarHBondContact O-CB 3.48Å; R330-V343 PolarHBondContact N-O 2.88Å; R330-V343 PolarHBondContact O-N 3.16Å; R330-L345 HydrophobicContact CB-CD2 4.12Å
331V91.9Very high87.6Confident1 Ų159.1 Ų59.11%0.00630%0.298CS..EExtended strand (participates in β ladder)trans-71.8124.9177.5177.70000109.4Y302 G304 R305 M307 V340 A342 L358Y302-V331 WeakPolarHBondContact O-CB 3.34Å; G304-V331 WeakPolarHBondContact CA-O 3.33Å; G304-V331 PolarHBondContact N-O 3.43Å; R305-V331 PolarHBondContact O-N 2.85Å; M307-V331 HydrophobicContact SD-CG2 4.11Å; V331-V340 HydrophobicContact CG1-CB 3.94Å; V331-V340 HydrophobicContact CG1-CG1 4.03Å; V331-V340 HydrophobicContact CG2-CG2 4.28Å; V331-A342 HydrophobicContact CG2-CB 4.48Å; V331-L358 HydrophobicContact CG2-CD1 4.14Å
332T87.7Confident87.8Confident61 Ų6159 Ų5937%0.37430%0.298SS..EExtended strand (participates in β ladder)trans-102.9-33.2-179.456.20000112.8V303 R330 E341 V343V303-T332 WeakPolarHBondContact CG1-O 3.31Å; R330-T332 PolarHBondContact O-N 2.76Å; T332-E341 PolarHBondContact N-O 2.98Å; T332-E341 PolarHBondContact OG1-O 2.82Å; T332-V343 HydrophobicContact CG2-CG2 3.69Å
333K88.4Confident88Confident112 Ų11257.7 Ų57.749%0.48729%0.289SS..EExtended strand (participates in β ladder)trans-153.1142.6-179-169-179.4177.5-176.20110.9L335 V340 E341K333-L335 HydrophobicContact CD-CD2 4.29Å; K333-V340 CarbonylContact O-C 3.41Å; K333-V340 WeakPolarHBondContact O-CA 3.45Å; K333-E341 HydrophobicContact CB-CB 3.99Å; K333-E341 PolarHBondContact N-O 2.95Å; K333-E341 VanDerWaalsContact N-O 3.16Å; K333-E341 PolarHBondContact O-N 3.35Å
334V87.7Confident88.2Confident28 Ų2857.7 Ų57.717%0.1729%0.289CS..EExtended strand (participates in β ladder)trans-95.5124.9169.9-175.60000108Y302 V303 N336 V340Y302-V334 HydrophobicContact CD2-CG2 4.21Å; V303-V334 HydrophobicContact CG2-CG2 4.01Å; V334-N336 WeakPolarHBondContact CG1-O 3.34Å; V334-V340 HydrophobicContact CB-CG1 4.41Å; V334-V340 HydrophobicContact CG1-CG1 4.32Å; V334-V340 HydrophobicContact CG2-CG1 4.09Å
335L78.4Confident88.3Confident81 Ų8154.8 Ų54.842%0.42427%0.274SS..  trans-91.7-41.3179.2-64.5174.8000111.2K333 W339 I352K333-L335 HydrophobicContact CD-CD2 4.29Å; L335-W339 HydrophobicContact CB-CB 4.4Å; L335-W339 PolarHBondContact N-O 2.97Å; L335-I352 HydrophobicContact CD1-CB 4.43Å; L335-I352 HydrophobicContact CD1-CG2 3.5Å; L335-I352 VanDerWaalsContact CD1-CG2 3.5Å
336N82.5Confident88.1Confident70 Ų7058.9 Ų58.937%0.37429%0.287SS..SBendtrans-161.8-176.2174.858.646000109.5V334 S338 W339V334-N336 WeakPolarHBondContact CG1-O 3.34Å; N336-S338 PolarHBondContact O-N 3.4Å; N336-S338 WeakPolarHBondContact OD1-CA 3.36Å; N336-S338 PolarHBondContact OD1-N 2.79Å; N336-W339 PolarHBondContact N-O 3.45Å; N336-W339 PolarHBondContact O-N 3.05Å; N336-W339 PolarHBondContact OD1-N 3.19Å
337D79.9Confident88Confident142 Ų14257.8 Ų57.876%0.75928%0.281SS*.SBendtrans-61.9-9.9-178-52.7-19.5000114.5
338S81.3Confident87.6Confident70 Ų7063.3 Ų63.349%0.4931%0.306SS..SBendtrans-119.3-20.8-177.7-61.30000114.3N336 P354 V355N336-S338 PolarHBondContact O-N 3.4Å; N336-S338 WeakPolarHBondContact OD1-CA 3.36Å; N336-S338 PolarHBondContact OD1-N 2.79Å; S338-P354 CarbonylContact O-C 3.59Å; S338-P354 VanDerWaalsContact O-CA 3.24Å; S338-P354 WeakPolarHBondContact O-CA 3.48Å; S338-V355 PolarHBondContact O-N 3.48Å
339W88.6Confident87.3Confident89 Ų8966.3 Ų66.334%0.33732%0.317SS..EExtended strand (participates in β ladder)trans-130.5134.8-170-69.686.8000112.7F313 L335 N336 I352 P354F313-W339 HydrophobicContact CZ-CH2 4.3Å; F313-W339 HydrophobicContact CZ-CZ3 4.1Å; L335-W339 HydrophobicContact CB-CB 4.4Å; L335-W339 PolarHBondContact N-O 2.97Å; N336-W339 PolarHBondContact N-O 3.45Å; N336-W339 PolarHBondContact O-N 3.05Å; N336-W339 PolarHBondContact OD1-N 3.19Å; W339-I352 HydrophobicContact CE3-CB 4.17Å; W339-I352 HydrophobicContact CE3-CD1 4.1Å; W339-I352 HydrophobicContact CE3-CG1 4.16Å; W339-I352 HydrophobicContact CZ3-CD1 4.11Å; W339-I352 HydrophobicContact CZ3-CG1 4.1Å; W339-P354 HydrophobicContact CD2-CG 4.42Å; W339-P354 HydrophobicContact CE3-CG 4.09Å; W339-P354 HydrophobicContact CH2-CG 3.75Å; W339-P354 HydrophobicContact CZ2-CG 4.07Å; W339-P354 HydrophobicContact CZ3-CG 3.76Å
340V92.9Very high87.1Confident1 Ų170.8 Ų70.81%0.00634%0.344CS..EExtended strand (participates in β ladder)trans-127.2146.2175.9-710000110.9V331 K333 V334 I352 I353 V355 L358V331-V340 HydrophobicContact CG1-CB 3.94Å; V331-V340 HydrophobicContact CG1-CG1 4.03Å; V331-V340 HydrophobicContact CG2-CG2 4.28Å; K333-V340 CarbonylContact O-C 3.41Å; K333-V340 WeakPolarHBondContact O-CA 3.45Å; V334-V340 HydrophobicContact CB-CG1 4.41Å; V334-V340 HydrophobicContact CG1-CG1 4.32Å; V334-V340 HydrophobicContact CG2-CG1 4.09Å; V340-I352 CarbonylContact O-C 3.55Å; V340-I352 VanDerWaalsContact O-CA 3.3Å; V340-I352 WeakPolarHBondContact O-CA 3.5Å; V340-I353 HydrophobicContact CG2-CG2 3.87Å; V340-I353 WeakPolarHBondContact CG2-O 3.36Å; V340-I353 PolarHBondContact N-O 2.86Å; V340-I353 PolarHBondContact O-N 2.84Å; V340-V355 HydrophobicContact CB-CG2 4.37Å; V340-V355 HydrophobicContact CG1-CG2 3.53Å; V340-V355 HydrophobicContact CG2-CG2 4.1Å; V340-L358 HydrophobicContact CG2-CD1 3.65Å
341E91.3Very high86.9Confident69 Ų6965.6 Ų65.632%0.32233%0.327SS..EExtended strand (participates in β ladder)trans-89.1123.1167.2-169.6-179.8-179.100108.5T332 K333 G351 I352T332-E341 PolarHBondContact N-O 2.98Å; T332-E341 PolarHBondContact OG1-O 2.82Å; K333-E341 HydrophobicContact CB-CB 3.99Å; K333-E341 PolarHBondContact N-O 2.95Å; K333-E341 VanDerWaalsContact N-O 3.16Å; K333-E341 PolarHBondContact O-N 3.35Å; E341-G351 CarbonylContact C-O 3.47Å; E341-G351 WeakPolarHBondContact CA-O 3.15Å; E341-I352 HydrophobicContact CB-CG2 4.5Å
342A92.9Very high86.9Confident0 Ų067.9 Ų67.90%034%0.339CS..EExtended strand (participates in β ladder)trans-137157.6-175.600000112L321 V329 R330 V331 T350 G351 I353L321-A342 HydrophobicContact CD2-CB 4.06Å; V329-A342 HydrophobicContact CB-CB 4.09Å; V329-A342 HydrophobicContact CG2-CB 4.27Å; R330-A342 CarbonylContact O-C 3.24Å; R330-A342 VanDerWaalsContact O-CA 3.23Å; R330-A342 WeakPolarHBondContact O-CA 3.29Å; R330-A342 WeakPolarHBondContact O-CB 3.48Å; V331-A342 HydrophobicContact CG2-CB 4.48Å; A342-T350 WeakPolarHBondContact O-CA 3.47Å; A342-G351 PolarHBondContact N-O 3.24Å; A342-G351 PolarHBondContact O-N 2.87Å; A342-I353 HydrophobicContact CB-CG2 4.09Å
343V90.9Very high87.1Confident21 Ų2165 Ų6513%0.12732%0.321CS..EExtended strand (participates in β ladder)trans-108.8124.2172.9-173.10000109.2V329 R330 T332 L345 R349 T350V329-V343 CarbonylContact C-O 3.55Å; V329-V343 VanDerWaalsContact CA-O 3.24Å; V329-V343 WeakPolarHBondContact CA-O 3.45Å; R330-V343 PolarHBondContact N-O 2.88Å; R330-V343 PolarHBondContact O-N 3.16Å; T332-V343 HydrophobicContact CG2-CG2 3.69Å; V343-L345 PolarHBondContact O-N 3.49Å; V343-R349 CarbonylContact C-O 3.55Å; V343-R349 VanDerWaalsContact CA-O 3.31Å; V343-R349 WeakPolarHBondContact CA-O 3.3Å; V343-T350 HydrophobicContact CB-CG2 4.26Å; V343-T350 HydrophobicContact CG1-CG2 4.16Å; V343-T350 HydrophobicContact CG2-CG2 3.39Å
344N91.4Very high87.3Confident0 Ų060.3 Ų60.30%030%0.302CS..EExtended strand (participates in β ladder)trans-74.1120.6172.3179.1-25.8000109.6L321 D327 V329 K346 N347 Q348 R349L321-N344 HydrophobicContact CD1-CB 4.04Å; L321-N344 HydrophobicContact CD2-CB 4.44Å; D327-N344 PolarHBondContact OD2-ND2 3.19Å; V329-N344 HydrophobicContact CG1-CB 4.06Å; N344-K346 PolarHBondContact O-N 3.49Å; N344-K346 VanDerWaalsContact OD1-CB 3.27Å; N344-K346 WeakPolarHBondContact OD1-CB 3.41Å; N344-K346 PolarHBondContact OD1-N 2.88Å; N344-N347 VanDerWaalsContact CB-OD1 3.27Å; N344-N347 WeakPolarHBondContact CB-OD1 3.41Å; N344-Q348 WeakPolarHBondContact O-CA 3.32Å; N344-Q348 PolarHBondContact O-N 3.36Å; N344-R349 PolarHBondContact N-O 2.94Å
345L89Confident87.3Confident19 Ų1960.3 Ų60.310%0.09930%0.302CS..THydrogen-bonded Turntrans-72.1-17.7-173.7-62.5178.8000113.1I306 Y328 R330 V343 Q348I306-L345 HydrophobicContact CD1-CD1 4.01Å; I306-L345 HydrophobicContact CG1-CD1 4.23Å; I306-L345 HydrophobicContact CG2-CD1 3.86Å; Y328-L345 WeakPolarHBondContact O-CB 3.48Å; Y328-L345 WeakPolarHBondContact O-CG 3.5Å; Y328-L345 PolarHBondContact O-N 2.94Å; R330-L345 HydrophobicContact CB-CD2 4.12Å; V343-L345 PolarHBondContact O-N 3.49Å; L345-Q348 PolarHBondContact O-NE2 2.81Å
346K82.5Confident87.8Confident144 Ų14460.7 Ų60.763%0.62631%0.312SS*.THydrogen-bonded Turntrans-80.8-42.8178.9-173.8179.6-179.6179.90112.3D327 N344D327-K346 WeakPolarHBondContact OD1-CD 3.42Å; D327-K346 IonicContact OD1-NZ 2.96Å; D327-K346 PolarHBondContact OD1-NZ 2.67Å; N344-K346 PolarHBondContact O-N 3.49Å; N344-K346 VanDerWaalsContact OD1-CB 3.27Å; N344-K346 WeakPolarHBondContact OD1-CB 3.41Å; N344-K346 PolarHBondContact OD1-N 2.88Å
347N82.8Confident88.1Confident66 Ų6661.2 Ų61.235%0.35331%0.309SS..THydrogen-bonded Turntrans-113.70.8-175.367.117.6000114N344 R349N344-N347 VanDerWaalsContact CB-OD1 3.27Å; N344-N347 WeakPolarHBondContact CB-OD1 3.41Å; N347-R349 PolarHBondContact O-N 3.49Å; N347-R349 VanDerWaalsContact O-N 3.11Å; N347-R349 WeakPolarHBondContact OD1-CB 3.21Å; N347-R349 PolarHBondContact OD1-N 2.71Å
348Q83.5Confident88.6Confident131 Ų13155.2 Ų55.261%0.61228%0.277SS*.  trans56.421.7-179.2-58.6-62.5-33.700114.6N344 L345N344-Q348 WeakPolarHBondContact O-CA 3.32Å; N344-Q348 PolarHBondContact O-N 3.36Å; L345-Q348 PolarHBondContact O-NE2 2.81Å
349R84.6Confident88.7Confident170 Ų17053.3 Ų53.364%0.64227%0.265SS*.  trans-87.8140.2176.7-65.4-171.5176.1-163.5-0.7111.1L321 V343 N344 N347L321-R349 HydrophobicContact CD1-CB 4.36Å; L321-R349 WeakPolarHBondContact CD1-O 3.35Å; V343-R349 CarbonylContact C-O 3.55Å; V343-R349 VanDerWaalsContact CA-O 3.31Å; V343-R349 WeakPolarHBondContact CA-O 3.3Å; N344-R349 PolarHBondContact N-O 2.94Å; N347-R349 PolarHBondContact O-N 3.49Å; N347-R349 VanDerWaalsContact O-N 3.11Å; N347-R349 WeakPolarHBondContact OD1-CB 3.21Å; N347-R349 PolarHBondContact OD1-N 2.71Å
350T87.3Confident88.1Confident95 Ų9552.4 Ų52.458%0.58327%0.273SS*.EExtended strand (participates in β ladder)trans-102141.8176.459.50000110.1A342 V343A342-T350 WeakPolarHBondContact O-CA 3.47Å; V343-T350 HydrophobicContact CB-CG2 4.26Å; V343-T350 HydrophobicContact CG1-CG2 4.16Å; V343-T350 HydrophobicContact CG2-CG2 3.39Å
351G90Very high86.8Confident7 Ų755.6 Ų55.67%0.07229%0.289CS..EExtended strand (participates in β ladder)trans-178.5-178.9172.700000112.1G319 E341 A342G319-G351 CarbonylContact O-C 3.1Å; G319-G351 WeakPolarHBondContact O-CA 3.35Å; E341-G351 CarbonylContact C-O 3.47Å; E341-G351 WeakPolarHBondContact CA-O 3.15Å; A342-G351 PolarHBondContact N-O 3.24Å; A342-G351 PolarHBondContact O-N 2.87Å
352I91.7Very high84.7Confident50 Ų5058 Ų5826%0.25631%0.308SS..EExtended strand (participates in β ladder)trans-89.1141176.863177.1000111.3F313 G319 D320 L321 L335 W339 V340 E341F313-I352 WeakPolarHBondContact CE1-O 3.46Å; G319-I352 PolarHBondContact O-N 2.89Å; D320-I352 WeakPolarHBondContact OD1-CG1 3.25Å; L321-I352 PolarHBondContact N-O 3.39Å; L335-I352 HydrophobicContact CD1-CB 4.43Å; L335-I352 HydrophobicContact CD1-CG2 3.5Å; L335-I352 VanDerWaalsContact CD1-CG2 3.5Å; W339-I352 HydrophobicContact CE3-CB 4.17Å; W339-I352 HydrophobicContact CE3-CD1 4.1Å; W339-I352 HydrophobicContact CE3-CG1 4.16Å; W339-I352 HydrophobicContact CZ3-CD1 4.11Å; W339-I352 HydrophobicContact CZ3-CG1 4.1Å; V340-I352 CarbonylContact O-C 3.55Å; V340-I352 VanDerWaalsContact O-CA 3.3Å; V340-I352 WeakPolarHBondContact O-CA 3.5Å; E341-I352 HydrophobicContact CB-CG2 4.5Å
353I91.2Very high82.3Confident0 Ų063.6 Ų63.60%034%0.342CS..EExtended strand (participates in β ladder)trans-141.4142.7175.1-172.4161000109.2V309 F313 L321 A323 V340 A342 L358V309-I353 HydrophobicContact CG2-CD1 4.46Å; F313-I353 HydrophobicContact CB-CD1 3.88Å; F313-I353 HydrophobicContact CB-CG1 4.3Å; F313-I353 HydrophobicContact CD1-CB 4.06Å; F313-I353 HydrophobicContact CD1-CD1 3.83Å; F313-I353 HydrophobicContact CD1-CG1 3.58Å; F313-I353 HydrophobicContact CE1-CB 4.26Å; F313-I353 HydrophobicContact CE1-CG1 4.16Å; F313-I353 HydrophobicContact CG-CD1 4.09Å; F313-I353 HydrophobicContact CG-CG1 3.99Å; L321-I353 HydrophobicContact CB-CB 4.35Å; L321-I353 HydrophobicContact CD2-CB 4.42Å; L321-I353 HydrophobicContact CD2-CG2 4.27Å; A323-I353 HydrophobicContact CB-CD1 4.34Å; V340-I353 HydrophobicContact CG2-CG2 3.87Å; V340-I353 WeakPolarHBondContact CG2-O 3.36Å; V340-I353 PolarHBondContact N-O 2.86Å; V340-I353 PolarHBondContact O-N 2.84Å; A342-I353 HydrophobicContact CB-CG2 4.09Å; I353-L358 HydrophobicContact CD1-CD2 3.94Å; I353-L358 HydrophobicContact CG1-CD2 4.4Å; I353-L358 HydrophobicContact CG2-CD1 3.99Å; I353-L358 HydrophobicContact CG2-CD2 4.19Å; I353-L358 HydrophobicContact CG2-CG 4.3Å
354P92.7Very high79.6Confident13 Ų1371.9 Ų71.98%0.08438%0.377CS..EExtended strand (participates in β ladder)trans-64.9139.8175.3-21.432.6000111.7F313 S338 W339 S356 Y357F313-P354 HydrophobicContact CE2-CG 4.08Å; F313-P354 HydrophobicContact CZ-CG 4.32Å; S338-P354 CarbonylContact O-C 3.59Å; S338-P354 VanDerWaalsContact O-CA 3.24Å; S338-P354 WeakPolarHBondContact O-CA 3.48Å; W339-P354 HydrophobicContact CD2-CG 4.42Å; W339-P354 HydrophobicContact CE3-CG 4.09Å; W339-P354 HydrophobicContact CH2-CG 3.75Å; W339-P354 HydrophobicContact CZ2-CG 4.07Å; W339-P354 HydrophobicContact CZ3-CG 3.76Å; P354-S356 PolarHBondContact O-N 3.47Å; P354-Y357 HydrophobicContact CB-CD2 3.88Å; P354-Y357 HydrophobicContact CG-CD2 4.01Å; P354-Y357 HydrophobicContact CG-CE2 4.34Å; P354-Y357 WeakPolarHBondContact O-CB 3.5Å; P354-Y357 PolarHBondContact O-N 3.16Å
355V87.9Confident76.8Confident28 Ų2880.2 Ų80.217%0.1742%0.416CS..G310 helixtrans-58.5-32.9176.4179.30000111.1S338 V340 Y357 L358S338-V355 PolarHBondContact O-N 3.48Å; V340-V355 HydrophobicContact CB-CG2 4.37Å; V340-V355 HydrophobicContact CG1-CG2 3.53Å; V340-V355 HydrophobicContact CG2-CG2 4.1Å; V355-Y357 PolarHBondContact O-N 2.86Å; V355-L358 PolarHBondContact O-N 3.46Å
356S88.3Confident73.9Confident90 Ų9084.8 Ų84.863%0.62945%0.45SS*.G310 helixtrans-64-18.3177.355.80000114.5P354 L358P354-S356 PolarHBondContact O-N 3.47Å; S356-L358 VanDerWaalsContact C-N 3.32Å
357Y89.8Confident71.4Confident80 Ų8085.7 Ų85.731%0.31446%0.456SS..G310 helixtrans-88.2-4.6175.8-81.2-118.5000112.3A310 F313 P354 V355A310-Y357 PolarHBondContact N-O 2.95Å; F313-Y357 HydrophobicContact CB-CD1 3.77Å; F313-Y357 HydrophobicContact CB-CE1 4.14Å; F313-Y357 AromaticContact CD2-CD1 3.94Å; F313-Y357 HydrophobicContact CD2-CD1 3.94Å; F313-Y357 AromaticContact CD2-CE1 3.79Å; F313-Y357 HydrophobicContact CD2-CE1 3.79Å; F313-Y357 HydrophobicContact CD2-CG 4.49Å; F313-Y357 HydrophobicContact CG-CD1 4.18Å; F313-Y357 HydrophobicContact CG-CE1 4.4Å; P354-Y357 HydrophobicContact CB-CD2 3.88Å; P354-Y357 HydrophobicContact CG-CD2 4.01Å; P354-Y357 HydrophobicContact CG-CE2 4.34Å; P354-Y357 WeakPolarHBondContact O-CB 3.5Å; P354-Y357 PolarHBondContact O-N 3.16Å; V355-Y357 PolarHBondContact O-N 2.86Å
358L89.7Confident68.7Low16 Ų1691.1 Ų91.18%0.08448%0.479CS..EExtended strand (participates in β ladder)trans-108.9131.9-177.2-55.1-177.9000110.7M307 V309 V329 V331 V340 I353 V355 S356M307-L358 HydrophobicContact CB-CB 4.15Å; M307-L358 HydrophobicContact CB-CD1 4.46Å; M307-L358 HydrophobicContact CE-CB 3.31Å; M307-L358 HydrophobicContact CE-CD1 4.45Å; M307-L358 HydrophobicContact SD-CB 3.84Å; M307-L358 HydrophobicContact SD-CD1 3.87Å; V309-L358 HydrophobicContact CG2-CD2 4.01Å; V329-L358 HydrophobicContact CG2-CD1 4.2Å; V329-L358 HydrophobicContact CG2-CD2 3.45Å; V329-L358 VanDerWaalsContact CG2-CD2 3.45Å; V329-L358 HydrophobicContact CG2-CG 4.47Å; V331-L358 HydrophobicContact CG2-CD1 4.14Å; V340-L358 HydrophobicContact CG2-CD1 3.65Å; I353-L358 HydrophobicContact CD1-CD2 3.94Å; I353-L358 HydrophobicContact CG1-CD2 4.4Å; I353-L358 HydrophobicContact CG2-CD1 3.99Å; I353-L358 HydrophobicContact CG2-CD2 4.19Å; I353-L358 HydrophobicContact CG2-CG 4.3Å; V355-L358 PolarHBondContact O-N 3.46Å; S356-L358 VanDerWaalsContact C-N 3.32Å
359A84.1Confident66.3Low30 Ų3089.1 Ų89.125%0.24848%0.477CS..EExtended strand (participates in β ladder)trans-103.7130.8171.700000110.3R308 A310R308-A359 PolarHBondContact N-O 3.49Å; R308-A359 PolarHBondContact O-N 2.93Å; A310-A359 HydrophobicContact CB-CB 4.18Å
360S75.6Confident63.9Low71 Ų7186.4 Ų86.450%0.49748%0.48SS..EExtended strand (participates in β ladder)trans-68.3133.9174.3-174.60000110.7V362S360-V362 VanDerWaalsContact C-N 3.25Å; S360-V362 PolarHBondContact O-N 3.17Å
361L66.4Low61.5Low68 Ų6886.1 Ų86.136%0.35647%0.474SS..  trans-76.477.2172.6-67.2167.1000109.1I306 R308 Y328 T363I306-L361 HydrophobicContact CG2-CD1 4.24Å; R308-L361 HydrophobicContact CB-CD2 4.18Å; Y328-L361 HydrophobicContact CD1-CD1 4.1Å; Y328-L361 HydrophobicContact CE1-CD1 3.96Å; Y328-L361 HydrophobicContact CE1-CD2 4Å; L361-T363 PolarHBondContact O-N 3.34Å
362V45.8Very low58.6Low119 Ų11993.8 Ų93.872%0.72151%0.507SS*.  trans-88.186.1172-174.10000108.3S360S360-V362 VanDerWaalsContact C-N 3.25Å; S360-V362 PolarHBondContact O-N 3.17Å
363T42.4Very low55.6Low117 Ų117100.1 Ų100.172%0.71853%0.528SS*.  trans-107.4112.9156.840.50000107.5L361 E365L361-T363 PolarHBondContact O-N 3.34Å; T363-E365 PolarHBondContact O-N 3.44Å
364K34Very low52.4Low195 Ų195112 Ų11285%0.84857%0.573SS**SBendtrans-49.6135.7161.1-68.1176.8175.9178.60107
365E32.7Very low49.3Very low175 Ų175116.7 Ų116.782%0.81861%0.606SS**SBendtrans109123.6178.5-60.6170-16900114.4T363 H367T363-E365 PolarHBondContact O-N 3.44Å; E365-H367 VanDerWaalsContact C-N 3.29Å; E365-H367 PolarHBondContact O-N 3.05Å
366S28.2Very low46.3Very low116 Ų116119 Ų11981%0.81164%0.635SS**SBendtrans-78.255.2-162.146.80000114.2
367H30.5Very low43.5Very low163 Ų163120 Ų12076%0.75564%0.642SS**  trans-127.9128.5172.1-72.5-74000111E365E365-H367 VanDerWaalsContact C-N 3.29Å; E365-H367 PolarHBondContact O-N 3.05Å
368E26.5Very low40.6Very low180 Ų180121.4 Ų121.484%0.84167%0.671SS**  trans-48.5123.9168.3-139.9173.1-174.900108.2T370E368-T370 PolarHBondContact O-N 3.16Å
369P32.3Very low37.9Very low89 Ų89124.1 Ų124.158%0.57870%0.696SS**  trans-64.7106.8-176.923.5-30.8000108.5I371P369-I371 PolarHBondContact O-N 3.44Å
370T34.7Very low35.6Very low113 Ų113129 Ų12969%0.69372%0.724SS**  trans-59.3102.7173-42.80000107.9E368 H372E368-T370 PolarHBondContact O-N 3.16Å; T370-H372 VanDerWaalsContact C-N 3.32Å; T370-H372 PolarHBondContact O-N 2.92Å
371I36.4Very low33.5Very low88 Ų88133.3 Ų133.345%0.45174%0.739SS.*  trans-6895.1176.2-58.7175.4000106.6P369 W373P369-I371 PolarHBondContact O-N 3.44Å; I371-W373 VanDerWaalsContact C-N 3.31Å; I371-W373 HydrophobicContact CG2-CD2 4.15Å; I371-W373 HydrophobicContact CG2-CH2 4.29Å; I371-W373 HydrophobicContact CG2-CZ2 3.77Å; I371-W373 PolarHBondContact O-N 3.24Å
372H30.1Very low32.1Very low169 Ų169136 Ų13678%0.78275%0.754SS**  trans-69.991.9172.8-81.9-76.9000109T370 R374T370-H372 VanDerWaalsContact C-N 3.32Å; T370-H372 PolarHBondContact O-N 2.92Å; H372-R374 PolarHBondContact O-N 2.87Å
373W28.1Very low31.6Very low183 Ų183135.8 Ų135.869%0.69375%0.748SS**  trans-61.7115.7152.2-52.9109000106I371 S375I371-W373 VanDerWaalsContact C-N 3.31Å; I371-W373 HydrophobicContact CG2-CD2 4.15Å; I371-W373 HydrophobicContact CG2-CH2 4.29Å; I371-W373 HydrophobicContact CG2-CZ2 3.77Å; I371-W373 PolarHBondContact O-N 3.24Å; W373-S375 PolarHBondContact O-N 3.12Å
374R24.9Very low31.3Very low250 Ų250131.7 Ų131.794%0.94373%0.729SS**  trans-65.588.1173.3-167.8-177.2-79-1302.1107.1H372H372-R374 PolarHBondContact O-N 2.87Å
375S27Very low31.4Very low110 Ų110129.5 Ų129.577%0.76972%0.722SS**  trans-58.6139.7171.6-1740000108.8W373 S377W373-S375 PolarHBondContact O-N 3.12Å; S375-S377 PolarHBondContact O-N 2.83Å
376G24.8Very low31.6Very low77 Ų77126.4 Ų126.479%0.79471%0.71SS**  trans-48.9114.8-165.100000114.1
377S30.6Very low32Very low110 Ų110125.7 Ų125.777%0.76970%0.697SS**  trans-92.2115.5154.3178.30000106.5S375 A379S375-S377 PolarHBondContact O-N 2.83Å; S377-A379 VanDerWaalsContact C-N 3.25Å; S377-A379 PolarHBondContact O-N 2.64Å
378A28.4Very low32.4Very low111 Ų111124.2 Ų124.292%0.91769%0.689SS**  trans-62.974.3-178.300000112.9
379A32.7Very low32.9Very low73 Ų73117.7 Ų117.760%0.60367%0.666SS**  trans-106.8136.416200000108.3S377 M381S377-A379 VanDerWaalsContact C-N 3.25Å; S377-A379 PolarHBondContact O-N 2.64Å; A379-M381 PolarHBondContact O-N 3.03Å
380P34.8Very low33.1Very low131 Ų131117.7 Ų117.785%0.85166%0.66SS**  trans-59.7128.3-174.7-14.127000109.5D382P380-D382 PolarHBondContact O-N 2.73Å
381M33.4Very low33.3Very low163 Ų163114.6 Ų114.680%0.80365%0.646SS**  trans-58.1123.9177.4-77.9-149.7-60.200110A379 N383A379-M381 PolarHBondContact O-N 3.03Å; M381-N383 PolarHBondContact O-N 3.42Å; M381-N383 VanDerWaalsContact O-N 3.13Å
382D36.8Very low33.2Very low125 Ų125118 Ų11867%0.66865%0.653SS**  trans-71.498.9166.1-173.715.3000107.6P380 G384 Q385P380-D382 PolarHBondContact O-N 2.73Å; D382-G384 PolarHBondContact O-N 3.46Å; D382-Q385 PolarHBondContact O-N 2.9Å; D382-Q385 VanDerWaalsContact O-N 3.12Å
383N34.2Very low33.6Very low114 Ų114114.1 Ų114.161%0.6164%0.641SS**THydrogen-bonded Turntrans-51.2-20.2-176.4-79.5-11.3000113.4M381 Q385 L386 D387M381-N383 PolarHBondContact O-N 3.42Å; M381-N383 VanDerWaalsContact O-N 3.13Å; N383-Q385 PolarHBondContact O-N 3.15Å; N383-Q385 VanDerWaalsContact O-N 3.17Å; N383-L386 PolarHBondContact O-N 3.34Å; N383-D387 PolarHBondContact O-N 3.49Å
384G35.9Very low33.9Very low30 Ų30110 Ų11031%0.30963%0.631SS.*Hα-helixtrans-64.6-16.5177.400000115.6D382 K388D382-G384 PolarHBondContact O-N 3.46Å; G384-K388 WeakPolarHBondContact O-CB 3.4Å; G384-K388 WeakPolarHBondContact O-CG 3.04Å; G384-K388 PolarHBondContact O-N 2.87Å; G384-K388 VanDerWaalsContact O-N 3.17Å
385Q37.1Very low34.2Very low149 Ų149103.1 Ų103.170%0.69661%0.612SS**Hα-helixtrans-79.1-34.5175-69.3-159.49.300113.1D382 N383 K388 A389D382-Q385 PolarHBondContact O-N 2.9Å; D382-Q385 VanDerWaalsContact O-N 3.12Å; N383-Q385 PolarHBondContact O-N 3.15Å; N383-Q385 VanDerWaalsContact O-N 3.17Å; Q385-K388 PolarHBondContact O-N 3.4Å; Q385-A389 WeakPolarHBondContact O-CB 3.45Å; Q385-A389 PolarHBondContact O-N 3.22Å
386L36.2Very low34.5Very low110 Ų110102.6 Ų102.658%0.57661%0.609SS**Hα-helixtrans-68.6-43.9175.2-174.862.5000110N383 K388 A389 I390N383-L386 PolarHBondContact O-N 3.34Å; L386-K388 VanDerWaalsContact C-N 3.32Å; L386-K388 PolarHBondContact O-N 3.41Å; L386-A389 WeakPolarHBondContact O-CA 3.06Å; L386-A389 WeakPolarHBondContact O-CB 3.13Å; L386-A389 PolarHBondContact O-N 2.84Å; L386-I390 HydrophobicContact CG-CD1 4.14Å; L386-I390 WeakPolarHBondContact O-CG1 3.14Å; L386-I390 PolarHBondContact O-N 3.35Å
387D36.3Very low34.7Very low101 Ų101105.8 Ų105.854%0.5461%0.607SS.*Hα-helixtrans-62.2-38.2175.4-66.9-27.1000112.4N383 A389 I390 A391N383-D387 PolarHBondContact O-N 3.49Å; D387-A389 VanDerWaalsContact C-N 3.33Å; D387-I390 PolarHBondContact O-N 3.03Å; D387-A391 VanDerWaalsContact O-CB 3.32Å; D387-A391 WeakPolarHBondContact O-CB 3.38Å; D387-A391 PolarHBondContact O-N 3.2Å
388K38.7Very low34.8Very low132 Ų132106.5 Ų106.557%0.57460%0.598SS**Hα-helixtrans-67.7-31.7172.7-85.1176.4179.3167.80112.7G384 Q385 L386 R392G384-K388 WeakPolarHBondContact O-CB 3.4Å; G384-K388 WeakPolarHBondContact O-CG 3.04Å; G384-K388 PolarHBondContact O-N 2.87Å; G384-K388 VanDerWaalsContact O-N 3.17Å; Q385-K388 PolarHBondContact O-N 3.4Å; L386-K388 VanDerWaalsContact C-N 3.32Å; L386-K388 PolarHBondContact O-N 3.41Å; K388-R392 WeakPolarHBondContact O-CB 3.35Å; K388-R392 VanDerWaalsContact O-CG 3.26Å; K388-R392 WeakPolarHBondContact O-CG 3.49Å; K388-R392 PolarHBondContact O-N 3.34Å
389A38.3Very low34.7Very low43 Ų43107.3 Ų107.336%0.35559%0.586SS.*Hα-helixtrans-72-44175.200000110.7Q385 L386 D387 A391 R392 T393Q385-A389 WeakPolarHBondContact O-CB 3.45Å; Q385-A389 PolarHBondContact O-N 3.22Å; L386-A389 WeakPolarHBondContact O-CA 3.06Å; L386-A389 WeakPolarHBondContact O-CB 3.13Å; L386-A389 PolarHBondContact O-N 2.84Å; D387-A389 VanDerWaalsContact C-N 3.33Å; A389-A391 PolarHBondContact O-N 2.99Å; A389-R392 PolarHBondContact O-N 3.38Å; A389-T393 WeakPolarHBondContact O-CB 3.34Å; A389-T393 PolarHBondContact O-N 2.85Å; A389-T393 PolarHBondContact O-OG1 3.36Å
390I35.9Very low34.4Very low90 Ų90110.2 Ų110.246%0.46259%0.591SS.*Hα-helixtrans-58.9-48.2174.2-65.4166.3000110L386 D387 R392 T393 M394L386-I390 HydrophobicContact CG-CD1 4.14Å; L386-I390 WeakPolarHBondContact O-CG1 3.14Å; L386-I390 PolarHBondContact O-N 3.35Å; D387-I390 PolarHBondContact O-N 3.03Å; I390-R392 PolarHBondContact O-N 3.35Å; I390-T393 PolarHBondContact O-N 3.01Å; I390-M394 PolarHBondContact O-N 2.78Å
391A38Very low34.2Very low48 Ų48108.6 Ų108.640%0.39758%0.583SS.*Hα-helixtrans-62.1-39.7177.700000113D387 A389 L395D387-A391 VanDerWaalsContact O-CB 3.32Å; D387-A391 WeakPolarHBondContact O-CB 3.38Å; D387-A391 PolarHBondContact O-N 3.2Å; A389-A391 PolarHBondContact O-N 2.99Å; A391-L395 WeakPolarHBondContact O-CB 3.39Å; A391-L395 VanDerWaalsContact O-CG 3.27Å; A391-L395 WeakPolarHBondContact O-CG 3.41Å; A391-L395 PolarHBondContact O-N 2.78Å
392R35Very low34Very low160 Ų160109.2 Ų109.260%0.60458%0.581SS**Hα-helixtrans-68.9-34.9175.7-77.1-178.9-173.1114.4-5112.5K388 A389 I390 S396K388-R392 WeakPolarHBondContact O-CB 3.35Å; K388-R392 VanDerWaalsContact O-CG 3.26Å; K388-R392 WeakPolarHBondContact O-CG 3.49Å; K388-R392 PolarHBondContact O-N 3.34Å; A389-R392 PolarHBondContact O-N 3.38Å; I390-R392 PolarHBondContact O-N 3.35Å; R392-S396 WeakPolarHBondContact O-CB 3.12Å; R392-S396 PolarHBondContact O-N 3.15Å; R392-S396 PolarHBondContact O-OG 3.5Å
393T38.4Very low33.5Very low87 Ų87108.3 Ų108.353%0.53458%0.584SS.*Hα-helixtrans-72.6-39177.9-42.20000110.6A389 I390 S396 L397A389-T393 WeakPolarHBondContact O-CB 3.34Å; A389-T393 PolarHBondContact O-N 2.85Å; A389-T393 PolarHBondContact O-OG1 3.36Å; I390-T393 PolarHBondContact O-N 3.01Å; T393-S396 PolarHBondContact O-N 3.05Å; T393-L397 PolarHBondContact O-N 3.03Å
394M33.7Very low33Very low96 Ų96107.4 Ų107.447%0.47359%0.587SS.*Hα-helixtrans-60.3-47.9169.7-87.4-16377.300112I390 S396 L397 E398I390-M394 PolarHBondContact O-N 2.78Å; M394-S396 VanDerWaalsContact C-N 3.29Å; M394-S396 PolarHBondContact O-N 3.45Å; M394-L397 PolarHBondContact O-N 3.05Å; M394-E398 PolarHBondContact O-N 3.25Å
395L32.7Very low32.4Very low105 Ų105117.4 Ų117.455%0.5562%0.615SS.*Hα-helixtrans-68-27.1-179.6-72.4170.3000113.4A391 L397A391-L395 WeakPolarHBondContact O-CB 3.39Å; A391-L395 VanDerWaalsContact O-CG 3.27Å; A391-L395 WeakPolarHBondContact O-CG 3.41Å; A391-L395 PolarHBondContact O-N 2.78Å; L395-L397 VanDerWaalsContact C-N 3.29Å
396S32Very low31.9Very low100 Ų100117.9 Ų117.970%0.69962%0.622SS**Hα-helixtrans-76-18.3177.9-57.20000113R392 T393 M394R392-S396 WeakPolarHBondContact O-CB 3.12Å; R392-S396 PolarHBondContact O-N 3.15Å; R392-S396 PolarHBondContact O-OG 3.5Å; T393-S396 PolarHBondContact O-N 3.05Å; M394-S396 VanDerWaalsContact C-N 3.29Å; M394-S396 PolarHBondContact O-N 3.45Å
397L29.4Very low31.3Very low143 Ų143117.3 Ų117.375%0.74963%0.627SS**Hα-helixtrans-94.5-17.5177.8-74.5166.2000113.4T393 M394 L395T393-L397 PolarHBondContact O-N 3.03Å; M394-L397 PolarHBondContact O-N 3.05Å; L395-L397 VanDerWaalsContact C-N 3.29Å
398E33.1Very low30.9Very low126 Ų126117.5 Ų117.559%0.58964%0.636SS**Hα-helixtrans-98.3-7-174.3-74.9-172.8163.400116M394M394-E398 PolarHBondContact O-N 3.25Å
399I26.3Very low30.1Very low128 Ų128118.5 Ų118.566%0.65665%0.648SS**  trans-96.74.1-176.6-57.4177.8000113.7S401I399-S401 PolarHBondContact O-N 3.37Å
400D25.8Very low29.6Very low134 Ų134121.1 Ų121.172%0.71766%0.664SS**  trans-80.938.7172.7-136.925.1000112.5K402D400-K402 VanDerWaalsContact C-N 3.29Å; D400-K402 PolarHBondContact O-N 3.45Å
401S31.3Very low29.1Very low97 Ų97125 Ų12568%0.67869%0.685SS**  trans-74.290.2162.519.30000107.8I399 S403I399-S401 PolarHBondContact O-N 3.37Å; S401-S403 PolarHBondContact O-N 2.98Å
402K28.4Very low28.5Very low176 Ų176127.5 Ų127.577%0.76570%0.7SS**  trans-56.183169.9-69.7174.9-179.9168.80110.6D400 S404D400-K402 VanDerWaalsContact C-N 3.29Å; D400-K402 PolarHBondContact O-N 3.45Å; K402-S404 PolarHBondContact O-N 3.1Å
403S25.8Very low27.9Very low105 Ų105131 Ų13173%0.73471%0.713SS**  trans-69.391155.8177.70000106.6S401 R405S401-S403 PolarHBondContact O-N 2.98Å; S403-R405 PolarHBondContact O-N 2.9Å
404S24.3Very low27.3Very low95 Ų95135.4 Ų135.466%0.66473%0.732SS**  trans-54.7100.9169540000108.6K402 L406K402-S404 PolarHBondContact O-N 3.1Å; S404-L406 PolarHBondContact O-N 3.02Å
405R24.2Very low26.9Very low241 Ų241136.1 Ų136.191%0.90975%0.747SS**  trans-64.790.9164.2-69.3-177.8-179.71780.3106.6S403 S407S403-R405 PolarHBondContact O-N 2.9Å; R405-S407 PolarHBondContact O-N 3.08Å
406L25.1Very low26.4Very low158 Ų158136.4 Ų136.483%0.82776%0.758SS**  trans-58.9106.3161.7-81.8157.4000106.1S404 S408S404-L406 PolarHBondContact O-N 3.02Å; L406-S408 PolarHBondContact O-N 2.78Å
407S25.1Very low26.1Very low98 Ų98137.3 Ų137.369%0.68576%0.761SS**  trans-57102.7169.21640000107.9R405 N409R405-S407 PolarHBondContact O-N 3.08Å; S407-N409 VanDerWaalsContact C-N 3.32Å; S407-N409 PolarHBondContact O-N 3.05Å; S407-N409 VanDerWaalsContact O-N 3.1Å
408S26.4Very low26Very low105 Ų105136.5 Ų136.573%0.73476%0.762SS**  trans-74.686.8166.654.40000108.2L406 S410L406-S408 PolarHBondContact O-N 2.78Å; S408-S410 PolarHBondContact O-N 2.62Å
409N23.3Very low25.5Very low153 Ų153134.5 Ų134.582%0.81876%0.762SS**  trans-81.289.9164.6-99.7-2.9000108.4S407S407-N409 VanDerWaalsContact C-N 3.32Å; S407-N409 PolarHBondContact O-N 3.05Å; S407-N409 VanDerWaalsContact O-N 3.1Å
410S27.8Very low25.4Very low99 Ų99135.5 Ų135.569%0.69277%0.768SS**  trans-14755.5165.260.50000110.5S408S408-S410 PolarHBondContact O-N 2.62Å
411D25.7Very low25.4Very low171 Ų171135.5 Ų135.591%0.91477%0.768SS**  trans-101.886.8163.2-80.4-32.1000108.7
412S24.5Very low24.9Very low101 Ų101135.8 Ų135.871%0.70677%0.77SS**  trans-154.5137.4156.8670000109.4
413R23.2Very low24.9Very low232 Ų232133.5 Ų133.588%0.87577%0.771SS**  trans94.962.2179.1-51.2175.5-170.1-110.82.2115.8
414L26Very low24.7Very low180 Ų180133 Ų13394%0.94277%0.768SS**  trans-118.4103.5140.8-90.4161.5000108.4
415S24.4Very low24.6Very low111 Ų111139 Ų13978%0.77678%0.777SS**  trans-60.6129.8176.2-50.90000110.5
416S21.3Very low24.6Very low112 Ų112132.5 Ų132.578%0.78377%0.769SS**  trans-61.7135.4172.936.20000113.5
417P27.7Very low24.7Very low119 Ų119130.7 Ų130.777%0.77376%0.764SS**  trans-95.9108.1157.731.1-21.1000110.5
418T25.6Very low24.7Very low125 Ų125131.1 Ų131.177%0.76777%0.767SS**  36.291.8124.3-42.10000118.5
419S23.4Very low24.7Very low84 Ų84135.5 Ų135.559%0.58778%0.776SS**  52.7130.4120.270.30000123.1
420L24Very low25Very low150 Ų150133.6 Ų133.679%0.78578%0.775SS**  trans70.3132144.7-58.7152.7000114.8
421N25.3Very low24.9Very low134 Ų134132.7 Ų132.772%0.71778%0.781SS**  cis-173.9147.935.3-126.8-8.7000109.2
422S21.9Very low24.9Very low102 Ų102129 Ų12971%0.71378%0.775SS**  trans49.6112.8147.255.90000120.6
423T28.5Very low24.9Very low129 Ų129133.5 Ų133.579%0.79178%0.782SS**  -176.7103.2117.9-65.80000110.5
424S21Very low24.9Very low95 Ų95127.3 Ų127.366%0.66478%0.78SS**  41126.9128.5-220000123.2
425Y21.6Very low25Very low220 Ų220124.9 Ų124.986%0.86377%0.772SS**  trans77.9108.6143.4-72.4-71.1000121.8
426S23.8Very low25.1Very low105 Ų105124.6 Ų124.673%0.73477%0.767SS**  114.3138.3112.472.80000119
427V27.4Very low25.3Very low119 Ų119124.8 Ų124.872%0.72177%0.766SS**  trans87.589.9160.9-163.80000117.7
428S26.1Very low25.3Very low108 Ų108125.2 Ų125.276%0.75577%0.769SS**  trans21.198.4138.756.70000118.6S430S428-S430 PolarHBondContact O-N 2.84Å
429Q25.8Very low25.2Very low197 Ų197130.1 Ų130.192%0.92177%0.773SS**  trans-84.8100.5159.5-69.7179.10.100109.4
430S29.1Very low25.2Very low112 Ų112131.2 Ų131.278%0.78378%0.779SS**  trans-81.3112.4157.756.30000107.8S428 A432S428-S430 PolarHBondContact O-N 2.84Å; S430-A432 PolarHBondContact O-N 3.23Å
431G25.8Very low25.4Very low81 Ų81129.8 Ų129.884%0.83578%0.781SS**  trans-60.4100.1-178.300000112.4K433G431-K433 PolarHBondContact O-N 3.36Å
432A27.1Very low25.4Very low94 Ų94129.1 Ų129.178%0.77778%0.782SS**  trans-73.4116.6165.100000108.2S430 A434S430-A432 PolarHBondContact O-N 3.23Å; A432-A434 PolarHBondContact O-N 3.39Å
433K24.5Very low25.6Very low195 Ų195131.5 Ų131.585%0.84879%0.786SS**  trans-49.1128.4170.3-81.6176.2172.9176.60109.3G431 V435G431-K433 PolarHBondContact O-N 3.36Å; K433-V435 PolarHBondContact O-N 3.01Å
434A21.7Very low25.4Very low101 Ų101131 Ų13184%0.83578%0.784SS**  trans-52.6109178.300000110.6A432A432-A434 PolarHBondContact O-N 3.39Å
435V30Very low25.5Very low130 Ų130132.6 Ų132.679%0.78879%0.791SS**PPolyproline II helixtrans-79.8127169.2179.30000106.8K433K433-V435 PolarHBondContact O-N 3.01Å
436P25.4Very low25.7Very low104 Ų104128.2 Ų128.268%0.67579%0.786SS**PPolyproline II helixtrans-61150176.223.5-31.4000111.1
437P24.9Very low25.7Very low117 Ų117128.1 Ų128.176%0.7679%0.786SS**PPolyproline II helixtrans-60.3145.3-174.923.4-32.7000111.9R439P437-R439 PolarHBondContact O-N 2.85Å
438P28Very low25.7Very low127 Ų127130.5 Ų130.583%0.82579%0.794SS**PPolyproline II helixtrans-60.1132.8-178.823.1-31.7000111.2
439R24.3Very low25.6Very low229 Ų229133.5 Ų133.586%0.86480%0.796SS**PPolyproline II helixtrans-57.8134.8173.7178.5-179.1-83.8-155.6-5109.3P437 S441P437-R439 PolarHBondContact O-N 2.85Å; R439-S441 PolarHBondContact O-N 3Å
440P23.7Very low25.7Very low107 Ų107132 Ų13270%0.69579%0.794SS**PPolyproline II helixtrans-58.2128.9-179.820.9-31000111.1T442P440-T442 PolarHBondContact O-N 3.42Å
441S27.4Very low25.5Very low120 Ų120134.7 Ų134.784%0.83980%0.8SS**SBendtrans-8240.1-171.650.50000113.7R439R439-S441 PolarHBondContact O-N 3Å
442T25.5Very low25.6Very low119 Ų119136.1 Ų136.173%0.7380%0.797SS**  trans-13666.7-176.6600000111.1P440P440-T442 PolarHBondContact O-N 3.42Å
443L25.7Very low25.7Very low153 Ų153137.2 Ų137.280%0.80180%0.799SS**SBendtrans-115.4136.9146.4-99.1133.9000106.1T445L443-T445 PolarHBondContact O-N 3.48Å
444P25.2Very low25.9Very low117 Ų117138.4 Ų138.476%0.7680%0.798SS**  trans-60114.3-173.4-15.528000109.5V446P444-V446 PolarHBondContact O-N 2.94Å; P444-V446 VanDerWaalsContact O-N 3.12Å
445T22.5Very low26.1Very low130 Ų130145.2 Ų145.280%0.79880%0.802SS**  trans-68.7104.2167-430000106.6L443 S447L443-T445 PolarHBondContact O-N 3.48Å; T445-S447 PolarHBondContact O-N 3.33Å
446V24.9Very low26.2Very low127 Ų127147.5 Ų147.577%0.7781%0.809SS**  trans-70.4110.5165.9179.30000106P444 D448P444-V446 PolarHBondContact O-N 2.94Å; P444-V446 VanDerWaalsContact O-N 3.12Å; V446-D448 PolarHBondContact O-N 3.46Å
447S25.5Very low26.3Very low103 Ų103147 Ų14772%0.7281%0.808SS**  trans-59.8115.2179.2-40.50000109.9T445 E449T445-S447 PolarHBondContact O-N 3.33Å; S447-E449 PolarHBondContact O-N 2.84Å
448D25.9Very low26.6Very low169 Ų169145.7 Ų145.790%0.90479%0.793SS**  trans-81.239.1-177.5-118.1-12000112.6V446V446-D448 PolarHBondContact O-N 3.46Å
449E25.2Very low27Very low171 Ų171148.4 Ų148.480%0.79979%0.794SS**  trans-122.4103.7176.7-72.8-168.4171.400109.9S447S447-E449 PolarHBondContact O-N 2.84Å
450L26.7Very low27.5Very low166 Ų166145.9 Ų145.987%0.86980%0.795SS**  trans151.665.8143.4-79.8158.5000110.5
451N26.2Very low28Very low169 Ų169145.5 Ų145.590%0.90479%0.786SS**  trans-138.759.4165.6-98.9-21.8000112.1
452S27.8Very low28.4Very low111 Ų111145.4 Ų145.478%0.77677%0.773SS**SBendtrans-15068.1160.751.80000109.6
453S28.7Very low29Very low116 Ų116145.9 Ų145.981%0.81177%0.77SS**SBendtrans161.589.4148.8-75.80000111.1
454R28Very low30Very low221 Ų221141.4 Ų141.483%0.83476%0.755SS**  trans179.463.2148.3-98.7166.9-160.7-161.56.7109.6
455R26.3Very low31.2Very low243 Ų243139.9 Ų139.992%0.91774%0.744SS**THydrogen-bonded Turntrans-69.1133.2157.5-112.8177.4-177.3179.70.5106.5
456L31.8Very low32.8Very low178 Ų178137.2 Ų137.293%0.93273%0.727SS**THydrogen-bonded Turntrans11214.4166.4-53.5174.4000119.3
457S29.1Very low34.5Very low94 Ų94135.2 Ų135.266%0.65771%0.712SS**SBendtrans-147.725.1166.974.80000116.6
458M31Very low36.6Very low90 Ų90133.9 Ų133.944%0.44370%0.702SS.*  trans-11212.7-169.8-81.7-17380.800116.5N461 Q462M458-N461 PolarHBondContact O-N 3.44Å; M458-Q462 WeakPolarHBondContact O-CG 3.37Å; M458-Q462 PolarHBondContact O-N 3.34Å
459E36.5Very low38.8Very low183 Ų183128.2 Ų128.286%0.85568%0.678SS**Hα-helixtrans-71.5-29.1176.1-78.1180162.600113
460M33.7Very low41Very low177 Ų177120.4 Ų120.487%0.87264%0.643SS**Hα-helixtrans-82.6-17.1174.4-88.2159.275.100114.5
461N33.9Very low43.3Very low98 Ų98116.4 Ų116.452%0.52462%0.622SS.*Hα-helixtrans-92.2-21.6179.2-82.5-6.1000113.6M458 A464 T465M458-N461 PolarHBondContact O-N 3.44Å; N461-A464 PolarHBondContact O-N 3.27Å; N461-T465 WeakPolarHBondContact O-CG2 3.27Å; N461-T465 PolarHBondContact O-N 3.2Å; N461-T465 VanDerWaalsContact O-N 3.12Å; N461-T465 PolarHBondContact O-OG1 3.38Å
462Q36.6Very low45.9Very low118 Ų118111.4 Ų111.455%0.55160%0.597SS**Hα-helixtrans-65.7-42.3178.9-77.1-179.22200112M458 A464 T465 V466M458-Q462 WeakPolarHBondContact O-CG 3.37Å; M458-Q462 PolarHBondContact O-N 3.34Å; Q462-A464 PolarHBondContact O-N 3.28Å; Q462-T465 WeakPolarHBondContact CA-OG1 3.4Å; Q462-T465 PolarHBondContact O-N 2.85Å; Q462-T465 PolarHBondContact O-OG1 3.36Å; Q462-V466 WeakPolarHBondContact O-CG2 3.4Å; Q462-V466 PolarHBondContact O-N 3.46Å
463L38.5Very low48.3Very low130 Ų130107.6 Ų107.668%0.68157%0.573SS**Hα-helixtrans-59.3-47.2177.7-139.876.8000111.4T465 V466 D467L463-T465 VanDerWaalsContact C-N 3.32Å; L463-T465 PolarHBondContact O-N 3.48Å; L463-V466 PolarHBondContact O-N 3.37Å; L463-D467 PolarHBondContact O-N 2.98Å
464A46.1Very low50.7Low58 Ų58102.3 Ų102.348%0.47954%0.536SS..Hα-helixtrans-64.1-32.7178.500000113.5N461 Q462 C468N461-A464 PolarHBondContact O-N 3.27Å; Q462-A464 PolarHBondContact O-N 3.28Å; A464-C468 PolarHBondContact O-N 2.79Å
465T51.5Low53.4Low85 Ų8594.2 Ų94.252%0.52151%0.513SS..Hα-helixtrans-74.8-36.4177.252.70000113.3N461 Q462 L463 C468 A469N461-T465 WeakPolarHBondContact O-CG2 3.27Å; N461-T465 PolarHBondContact O-N 3.2Å; N461-T465 VanDerWaalsContact O-N 3.12Å; N461-T465 PolarHBondContact O-OG1 3.38Å; Q462-T465 WeakPolarHBondContact CA-OG1 3.4Å; Q462-T465 PolarHBondContact O-N 2.85Å; Q462-T465 PolarHBondContact O-OG1 3.36Å; L463-T465 VanDerWaalsContact C-N 3.32Å; L463-T465 PolarHBondContact O-N 3.48Å; T465-C468 PolarHBondContact O-N 2.92Å; T465-A469 PolarHBondContact O-N 3.06Å
466V54.4Low56.2Low74 Ų7488.8 Ų88.845%0.44850%0.498SS..Hα-helixtrans-68.2-43.3177.2174.80000110Q462 L463 C468 A469 A470Q462-V466 WeakPolarHBondContact O-CG2 3.4Å; Q462-V466 PolarHBondContact O-N 3.46Å; L463-V466 PolarHBondContact O-N 3.37Å; V466-C468 VanDerWaalsContact C-N 3.29Å; V466-C468 PolarHBondContact O-N 2.86Å; V466-A469 PolarHBondContact O-N 3.31Å; V466-A470 WeakPolarHBondContact O-CB 3.41Å; V466-A470 PolarHBondContact O-N 3.03Å
467D62.3Low58.9Low85 Ų8580.9 Ų80.946%0.45546%0.457SS..Hα-helixtrans-57.5-42.3175.1-71.1-20.4000111.6L463 A469 A470 I471L463-D467 PolarHBondContact O-N 2.98Å; D467-A469 PolarHBondContact O-N 2.94Å; D467-A470 PolarHBondContact O-N 3.16Å; D467-I471 WeakPolarHBondContact O-CB 3.5Å; D467-I471 VanDerWaalsContact O-CD1 3.26Å; D467-I471 WeakPolarHBondContact O-CD1 3.29Å; D467-I471 WeakPolarHBondContact O-CG1 3.45Å; D467-I471 PolarHBondContact O-N 2.83Å
468C68.4Low61.7Low76 Ų7676.6 Ų76.651%0.51443%0.426SS..Hα-helixtrans-65.3-40.9-179.8-165.70000112.8A464 T465 V466 T472A464-C468 PolarHBondContact O-N 2.79Å; T465-C468 PolarHBondContact O-N 2.92Å; V466-C468 VanDerWaalsContact C-N 3.29Å; V466-C468 PolarHBondContact O-N 2.86Å; C468-T472 WeakPolarHBondContact O-CB 3.5Å; C468-T472 PolarHBondContact O-N 2.82Å; C468-T472 PolarHBondContact O-OG1 2.85Å
469A73Confident64.6Low49 Ų4977.6 Ų77.641%0.40543%0.43SS..Hα-helixtrans-66.8-43.6177.500000111.7T465 V466 D467 T472 A473T465-A469 PolarHBondContact O-N 3.06Å; V466-A469 PolarHBondContact O-N 3.31Å; D467-A469 PolarHBondContact O-N 2.94Å; A469-T472 PolarHBondContact O-N 3.38Å; A469-A473 WeakPolarHBondContact O-CB 3.38Å; A469-A473 PolarHBondContact O-N 3.2Å
470A71.6Confident67.2Low7 Ų770.6 Ų70.66%0.05840%0.401CS..Hα-helixtrans-60-47.7175.200000112.6V466 D467 T472 A473 I474 L534 I622V466-A470 WeakPolarHBondContact O-CB 3.41Å; V466-A470 PolarHBondContact O-N 3.03Å; D467-A470 PolarHBondContact O-N 3.16Å; A470-T472 VanDerWaalsContact C-N 3.31Å; A470-T472 PolarHBondContact O-N 3Å; A470-A473 PolarHBondContact O-N 3.01Å; A470-I474 WeakPolarHBondContact O-CG1 3.4Å; A470-I474 PolarHBondContact O-N 3.2Å; A470-L534 HydrophobicContact CB-CD1 3.78Å; A470-I622 HydrophobicContact CB-CD1 4.18Å
471I74.6Confident70.1Confident82 Ų8262.2 Ų62.242%0.42136%0.359SS..Hα-helixtrans-60.1-43.5176.7-69.2162.1000110.7D467 S475 P532D467-I471 WeakPolarHBondContact O-CB 3.5Å; D467-I471 VanDerWaalsContact O-CD1 3.26Å; D467-I471 WeakPolarHBondContact O-CD1 3.29Å; D467-I471 WeakPolarHBondContact O-CG1 3.45Å; D467-I471 PolarHBondContact O-N 2.83Å; I471-S475 WeakPolarHBondContact O-CB 3.41Å; I471-S475 PolarHBondContact O-N 3.25Å; I471-P532 HydrophobicContact CD1-CB 4.44Å; I471-P532 HydrophobicContact CD1-CG 4.03Å; I471-P532 HydrophobicContact CG1-CB 3.64Å; I471-P532 HydrophobicContact CG1-CG 3.79Å
472T79.8Confident73Confident64 Ų6461.7 Ų61.739%0.39335%0.35SS..Hα-helixtrans-65.5-47-179.5-55.40000111C468 A469 A470 I474 S475 E476C468-T472 WeakPolarHBondContact O-CB 3.5Å; C468-T472 PolarHBondContact O-N 2.82Å; C468-T472 PolarHBondContact O-OG1 2.85Å; A469-T472 PolarHBondContact O-N 3.38Å; A470-T472 VanDerWaalsContact C-N 3.31Å; A470-T472 PolarHBondContact O-N 3Å; T472-I474 PolarHBondContact O-N 2.91Å; T472-S475 PolarHBondContact O-N 3.38Å; T472-E476 WeakPolarHBondContact O-CG 3.45Å; T472-E476 PolarHBondContact O-N 3.41Å
473A78.4Confident75.7Confident32 Ų3260.5 Ų60.526%0.26434%0.344SS..Hα-helixtrans-61.6-42.7178.700000112.5A469 A470 L477 L619 I622A469-A473 WeakPolarHBondContact O-CB 3.38Å; A469-A473 PolarHBondContact O-N 3.2Å; A470-A473 PolarHBondContact O-N 3.01Å; A473-L477 WeakPolarHBondContact O-CB 3.42Å; A473-L477 PolarHBondContact O-N 3.08Å; A473-L619 HydrophobicContact CB-CD2 4Å; A473-I622 HydrophobicContact CB-CD1 4.02Å
474I80.2Confident78.4Confident5 Ų554.9 Ų54.93%0.02631%0.314CS..Hα-helixtrans-63.9-45.2175-69.8170.2000110.6A470 T472 E476 L477 L478 L534 F537 L619A470-I474 WeakPolarHBondContact O-CG1 3.4Å; A470-I474 PolarHBondContact O-N 3.2Å; T472-I474 PolarHBondContact O-N 2.91Å; I474-E476 PolarHBondContact O-N 3.47Å; I474-L477 PolarHBondContact O-N 2.79Å; I474-L478 WeakPolarHBondContact O-CB 3.07Å; I474-L478 PolarHBondContact O-N 3.19Å; I474-L534 HydrophobicContact CD1-CD1 3.53Å; I474-L534 HydrophobicContact CD1-CG 4.25Å; I474-F537 HydrophobicContact CG1-CD2 4.31Å; I474-F537 HydrophobicContact CG2-CD2 4.25Å; I474-F537 HydrophobicContact CG2-CE2 4.18Å; I474-L619 HydrophobicContact CG1-CD2 4.48Å
475S83.4Confident80.8Confident51 Ų5153.8 Ų53.836%0.35730%0.299SS..Hα-helixtrans-61.2-44.9-179.7-173.60000112I471 T472 H479I471-S475 WeakPolarHBondContact O-CB 3.41Å; I471-S475 PolarHBondContact O-N 3.25Å; T472-S475 PolarHBondContact O-N 3.38Å; S475-H479 WeakPolarHBondContact O-CB 3.29Å; S475-H479 PolarHBondContact O-N 2.91Å
476E86.5Confident82.8Confident129 Ų12953.6 Ų53.660%0.60330%0.295SS*.Hα-helixtrans-64.9-43.7176.5-73.2-176.1179.100112.1T472 I474 H479 S480T472-E476 WeakPolarHBondContact O-CG 3.45Å; T472-E476 PolarHBondContact O-N 3.41Å; I474-E476 PolarHBondContact O-N 3.47Å; E476-H479 PolarHBondContact O-N 2.88Å; E476-S480 WeakPolarHBondContact O-CB 3.29Å; E476-S480 PolarHBondContact O-N 3.23Å
477L86.6Confident84.6Confident12 Ų1253.2 Ų53.26%0.06329%0.288CS..Hα-helixtrans-64.7-45.3178.5-178.853.3000111.2A473 I474 S480 E481 F537 Y615 L619A473-L477 WeakPolarHBondContact O-CB 3.42Å; A473-L477 PolarHBondContact O-N 3.08Å; I474-L477 PolarHBondContact O-N 2.79Å; L477-S480 PolarHBondContact O-N 3.07Å; L477-S480 PolarHBondContact O-OG 2.92Å; L477-E481 PolarHBondContact O-N 3.22Å; L477-F537 HydrophobicContact CD2-CE1 3.77Å; L477-F537 HydrophobicContact CD2-CE2 4.44Å; L477-F537 HydrophobicContact CD2-CZ 3.37Å; L477-F537 HydrophobicContact CG-CZ 4.07Å; L477-Y615 HydrophobicContact CD1-CD1 4.01Å; L477-Y615 HydrophobicContact CD1-CD2 3.65Å; L477-Y615 HydrophobicContact CD1-CE1 4.28Å; L477-Y615 HydrophobicContact CD1-CE2 3.96Å; L477-Y615 HydrophobicContact CD1-CG 3.71Å; L477-Y615 HydrophobicContact CD2-CG 4.32Å; L477-L619 HydrophobicContact CD2-CD1 4.35Å
478L88.4Confident86.2Confident3 Ų349.3 Ų49.32%0.01627%0.268CS..Hα-helixtrans-61.7-43.1175.5-177.4124.8000111.8I474 S480 E481 R482 L525 E526I474-L478 WeakPolarHBondContact O-CB 3.07Å; I474-L478 PolarHBondContact O-N 3.19Å; L478-S480 VanDerWaalsContact C-N 3.32Å; L478-S480 PolarHBondContact O-N 3.41Å; L478-E481 PolarHBondContact O-N 2.91Å; L478-R482 VanDerWaalsContact CD2-NE 3.32Å; L478-R482 WeakPolarHBondContact O-CG 3.49Å; L478-R482 PolarHBondContact O-N 3.4Å; L478-L525 VanDerWaalsContact CD1-C 3.45Å; L478-L525 HydrophobicContact CD1-CB 3.64Å; L478-E526 HydrophobicContact CD1-CG 4.08Å
479H91.9Very high87.5Confident112 Ų11247.6 Ų47.652%0.51926%0.255SS..Hα-helixtrans-59.4-45.1173.2179.962.6000111.1S475 E476 E481 R482 E483S475-H479 WeakPolarHBondContact O-CB 3.29Å; S475-H479 PolarHBondContact O-N 2.91Å; E476-H479 PolarHBondContact O-N 2.88Å; H479-E481 VanDerWaalsContact C-N 3.3Å; H479-E481 PolarHBondContact O-N 3.5Å; H479-R482 WeakPolarHBondContact O-CB 3.42Å; H479-R482 PolarHBondContact O-N 2.95Å; H479-E483 PolarHBondContact O-N 3.2Å
480S92Very high88.5Confident35 Ų3546.5 Ų46.525%0.24524%0.244CC..Hα-helixtrans-64.8-31.3177.481.80000113.4E476 L477 L478 Y484 R608E476-S480 WeakPolarHBondContact O-CB 3.29Å; E476-S480 PolarHBondContact O-N 3.23Å; L477-S480 PolarHBondContact O-N 3.07Å; L477-S480 PolarHBondContact O-OG 2.92Å; L478-S480 VanDerWaalsContact C-N 3.32Å; L478-S480 PolarHBondContact O-N 3.41Å; S480-Y484 WeakPolarHBondContact O-CB 3.47Å; S480-Y484 PolarHBondContact O-N 3.09Å; S480-R608 PolarHBondContact OG-NH2 3.37Å
481E94Very high89.5Confident1 Ų146.5 Ų46.51%0.00524%0.243CC..Hα-helixtrans-71.3-37.2173.7-81-61.2131.400112.2L477 L478 H479 Y484 H485 V522 R608 Y612L477-E481 PolarHBondContact O-N 3.22Å; L478-E481 PolarHBondContact O-N 2.91Å; H479-E481 VanDerWaalsContact C-N 3.3Å; H479-E481 PolarHBondContact O-N 3.5Å; E481-Y484 PolarHBondContact O-N 3.38Å; E481-H485 WeakPolarHBondContact O-CB 3.39Å; E481-H485 PolarHBondContact O-N 3.45Å; E481-V522 HydrophobicContact CB-CG2 4.04Å; E481-R608 IonicContact OE1-CZ 2.76Å; E481-R608 IonicContact OE1-NE 2.69Å; E481-R608 PolarHBondContact OE1-NE 2.73Å; E481-R608 IonicContact OE1-NH2 3.42Å; E481-R608 PolarHBondContact OE1-NH2 3.09Å; E481-Y612 WeakPolarHBondContact OE1-CE1 3.39Å; E481-Y612 PolarHBondContact OE1-OH 3.17Å; E481-Y612 VanDerWaalsContact OE1-OH 3.05Å; E481-Y612 PolarHBondContact OE2-OH 3.45Å
482R94.6Very high90.5Very high87 Ų8745.2 Ų45.233%0.32823%0.234SC..Hα-helixtrans-62.3-46172.9-67.8173.7-169.8-104.66.1111.4L478 H479 Y484 H485 N486 V522 E526L478-R482 VanDerWaalsContact CD2-NE 3.32Å; L478-R482 WeakPolarHBondContact O-CG 3.49Å; L478-R482 PolarHBondContact O-N 3.4Å; H479-R482 WeakPolarHBondContact O-CB 3.42Å; H479-R482 PolarHBondContact O-N 2.95Å; R482-Y484 VanDerWaalsContact C-N 3.33Å; R482-Y484 PolarHBondContact O-N 3.09Å; R482-H485 WeakPolarHBondContact O-CB 3.46Å; R482-H485 PolarHBondContact O-N 3.16Å; R482-N486 VanDerWaalsContact O-CG 3.24Å; R482-N486 PolarHBondContact O-N 3.37Å; R482-N486 PolarHBondContact O-ND2 3.03Å; R482-V522 HydrophobicContact CG-CG1 3.97Å; R482-E526 IonicContact CZ-OE1 2.8Å; R482-E526 IonicContact NE-OE1 3.05Å; R482-E526 IonicContact NH1-OE1 2.76Å; R482-E526 PolarHBondContact NH1-OE1 3.43Å; R482-E526 IonicContact NH2-OE1 2.73Å; R482-E526 PolarHBondContact NH2-OE1 3.27Å
483E93.8Very high91.3Very high93 Ų9348.8 Ų48.844%0.43524%0.241SC..Hα-helixtrans-62-43.4177-68.5-60.9108.700110.8H479 H485 N486 E487H479-E483 PolarHBondContact O-N 3.2Å; E483-H485 PolarHBondContact O-N 2.91Å; E483-N486 WeakPolarHBondContact O-CB 3.43Å; E483-N486 PolarHBondContact O-N 2.84Å; E483-E487 WeakPolarHBondContact O-CG 3.01Å; E483-E487 PolarHBondContact O-N 2.91Å
484Y94.9Very high92Very high13 Ų1347.3 Ų47.35%0.05123%0.229CC..Hα-helixtrans-61.7-42.1175175.9-116.9000113S480 E481 R482 N486 E487 L488 Y552 P605 R608S480-Y484 WeakPolarHBondContact O-CB 3.47Å; S480-Y484 PolarHBondContact O-N 3.09Å; E481-Y484 PolarHBondContact O-N 3.38Å; R482-Y484 VanDerWaalsContact C-N 3.33Å; R482-Y484 PolarHBondContact O-N 3.09Å; Y484-N486 VanDerWaalsContact C-N 3.32Å; Y484-N486 PolarHBondContact O-N 2.8Å; Y484-E487 WeakPolarHBondContact O-CB 3.24Å; Y484-E487 PolarHBondContact O-N 3.2Å; Y484-L488 HydrophobicContact CD1-CD1 4.15Å; Y484-L488 HydrophobicContact CD2-CG 4.36Å; Y484-L488 HydrophobicContact CE1-CD1 3.49Å; Y484-L488 VanDerWaalsContact CE1-CD1 3.49Å; Y484-L488 HydrophobicContact CE1-CG 4.07Å; Y484-L488 HydrophobicContact CE2-CD1 4.17Å; Y484-L488 HydrophobicContact CE2-CD2 4.02Å; Y484-L488 HydrophobicContact CE2-CG 3.83Å; Y484-L488 PolarHBondContact O-N 3.01Å; Y484-Y552 WeakPolarHBondContact CE1-OH 3.14Å; Y484-Y552 PolarHBondContact OH-OH 3.4Å; Y484-P605 VanDerWaalsContact OH-CA 3.29Å; Y484-P605 WeakPolarHBondContact OH-CA 3.5Å; Y484-P605 WeakPolarHBondContact OH-CB 3.49Å; Y484-R608 HydrophobicContact CD1-CG 3.73Å; Y484-R608 HydrophobicContact CD2-CB 4.2Å; Y484-R608 HydrophobicContact CD2-CG 3.92Å; Y484-R608 HydrophobicContact CE1-CB 4.18Å; Y484-R608 HydrophobicContact CE1-CG 3.58Å; Y484-R608 HydrophobicContact CE2-CB 3.69Å; Y484-R608 HydrophobicContact CE2-CG 3.79Å; Y484-R608 HydrophobicContact CG-CG 3.89Å
485H96Very high92.5Very high34 Ų3447.2 Ų47.216%0.15723%0.228CC..Hα-helixtrans-59.1-43.4174179.168.7000112E481 R482 E483 L488 T489 V515 S518 S519 V522E481-H485 WeakPolarHBondContact O-CB 3.39Å; E481-H485 PolarHBondContact O-N 3.45Å; R482-H485 WeakPolarHBondContact O-CB 3.46Å; R482-H485 PolarHBondContact O-N 3.16Å; E483-H485 PolarHBondContact O-N 2.91Å; H485-L488 PolarHBondContact O-N 3.48Å; H485-T489 WeakPolarHBondContact O-CB 3.47Å; H485-T489 PolarHBondContact O-N 2.76Å; H485-T489 PolarHBondContact O-OG1 2.87Å; H485-V515 PolarHBondContact CE1-O 3.24Å; H485-V515 PolarHBondContact ND1-O 3.29Å; H485-S518 WeakPolarHBondContact CA-OG 3.25Å; H485-S518 VanDerWaalsContact CB-OG 3.29Å; H485-S518 WeakPolarHBondContact CB-OG 3.45Å; H485-S518 PolarHBondContact ND1-OG 2.88Å; H485-S519 PolarHBondContact ND1-N 3.37Å; H485-V522 HydrophobicContact CB-CG2 4.41Å
486N94.1Very high93Very high82 Ų8248.7 Ų48.744%0.43923%0.23SC..Hα-helixtrans-64.6-39.6176.7-68.7-26.7000111.7R482 E483 Y484 T489 S490R482-N486 VanDerWaalsContact O-CG 3.24Å; R482-N486 PolarHBondContact O-N 3.37Å; R482-N486 PolarHBondContact O-ND2 3.03Å; E483-N486 WeakPolarHBondContact O-CB 3.43Å; E483-N486 PolarHBondContact O-N 2.84Å; Y484-N486 VanDerWaalsContact C-N 3.32Å; Y484-N486 PolarHBondContact O-N 2.8Å; N486-T489 PolarHBondContact O-N 2.69Å; N486-S490 WeakPolarHBondContact O-CB 3.45Å; N486-S490 PolarHBondContact O-N 3.05Å; N486-S490 PolarHBondContact O-OG 3.36Å
487E92.2Very high93.4Very high66 Ų6647.8 Ų47.831%0.30823%0.227SC..Hα-helixtrans-62.8-47.2174-74.1-174.5177.800111.7E483 Y484 T489 S490 L491E483-E487 WeakPolarHBondContact O-CG 3.01Å; E483-E487 PolarHBondContact O-N 2.91Å; Y484-E487 WeakPolarHBondContact O-CB 3.24Å; Y484-E487 PolarHBondContact O-N 3.2Å; E487-T489 VanDerWaalsContact C-N 3.33Å; E487-T489 PolarHBondContact O-N 3.26Å; E487-S490 PolarHBondContact O-N 2.93Å; E487-L491 WeakPolarHBondContact O-CB 3.5Å; E487-L491 PolarHBondContact O-N 3.47Å
488L95.3Very high93.6Very high3 Ų347.8 Ų47.82%0.01623%0.227CC..Hα-helixtrans-59.7-43.4176.3-76.5-179.8000112Y484 H485 L491 K492 L511 L514 V515 P605Y484-L488 HydrophobicContact CD1-CD1 4.15Å; Y484-L488 HydrophobicContact CD2-CG 4.36Å; Y484-L488 HydrophobicContact CE1-CD1 3.49Å; Y484-L488 VanDerWaalsContact CE1-CD1 3.49Å; Y484-L488 HydrophobicContact CE1-CG 4.07Å; Y484-L488 HydrophobicContact CE2-CD1 4.17Å; Y484-L488 HydrophobicContact CE2-CD2 4.02Å; Y484-L488 HydrophobicContact CE2-CG 3.83Å; Y484-L488 PolarHBondContact O-N 3.01Å; H485-L488 PolarHBondContact O-N 3.48Å; L488-L491 PolarHBondContact O-N 2.89Å; L488-K492 WeakPolarHBondContact O-CB 3.34Å; L488-K492 PolarHBondContact O-N 3.2Å; L488-L511 HydrophobicContact CD2-CD2 4.39Å; L488-L514 HydrophobicContact CD1-CB 4.21Å; L488-V515 HydrophobicContact CB-CG2 3.8Å; L488-P605 HydrophobicContact CD2-CB 4.16Å; L488-P605 HydrophobicContact CD2-CG 3.8Å
489T95.7Very high93.7Very high40 Ų4051.5 Ų51.525%0.24524%0.243CC..Hα-helixtrans-64.5-43.2179.2-60.60000111.3H485 N486 E487 K492 R493H485-T489 WeakPolarHBondContact O-CB 3.47Å; H485-T489 PolarHBondContact O-N 2.76Å; H485-T489 PolarHBondContact O-OG1 2.87Å; N486-T489 PolarHBondContact O-N 2.69Å; E487-T489 VanDerWaalsContact C-N 3.33Å; E487-T489 PolarHBondContact O-N 3.26Å; T489-K492 PolarHBondContact O-N 2.95Å; T489-R493 WeakPolarHBondContact O-CB 3.34Å; T489-R493 PolarHBondContact O-N 3.1Å
490S93.8Very high93.4Very high25 Ų2553.6 Ų53.618%0.17525%0.253CS..Hα-helixtrans-64.1-43.8175.3-630000111.5N486 E487 R493 V494N486-S490 WeakPolarHBondContact O-CB 3.45Å; N486-S490 PolarHBondContact O-N 3.05Å; N486-S490 PolarHBondContact O-OG 3.36Å; E487-S490 PolarHBondContact O-N 2.93Å; S490-R493 PolarHBondContact O-N 3.25Å; S490-V494 WeakPolarHBondContact O-CG2 3.49Å; S490-V494 PolarHBondContact O-N 3.23Å
491L94.1Very high93.1Very high8 Ų858 Ų584%0.04227%0.27CS..Hα-helixtrans-59.4-48.4176.4178.458.3000111.5E487 L488 R493 V494 C495 L511 L589 T601 L602 P605E487-L491 WeakPolarHBondContact O-CB 3.5Å; E487-L491 PolarHBondContact O-N 3.47Å; L488-L491 PolarHBondContact O-N 2.89Å; L491-R493 PolarHBondContact O-N 3.42Å; L491-V494 PolarHBondContact O-N 3.29Å; L491-C495 PolarHBondContact O-N 3.37Å; L491-C495 PolarHBondContact O-SG 2.98Å; L491-C495 VanDerWaalsContact O-SG 3.37Å; L491-L511 HydrophobicContact CD2-CD2 3.88Å; L491-L511 HydrophobicContact CG-CD1 4.14Å; L491-L511 HydrophobicContact CG-CD2 4.26Å; L491-L589 HydrophobicContact CD1-CD2 3.57Å; L491-T601 HydrophobicContact CD1-CG2 4.15Å; L491-L602 HydrophobicContact CD1-CD2 4.06Å; L491-L602 HydrophobicContact CD2-CD2 4.31Å; L491-P605 HydrophobicContact CD2-CG 4.49Å
492K95.7Very high92.7Very high54 Ų5458.1 Ų58.124%0.23527%0.27CS..Hα-helixtrans-57.2-49.7175.8178.9177.2177.6-78.40111.6L488 T489 V494 C495 E496 L511 V515L488-K492 WeakPolarHBondContact O-CB 3.34Å; L488-K492 PolarHBondContact O-N 3.2Å; T489-K492 PolarHBondContact O-N 2.95Å; K492-V494 VanDerWaalsContact C-N 3.34Å; K492-V494 PolarHBondContact O-N 3.18Å; K492-C495 PolarHBondContact O-N 3.23Å; K492-E496 WeakPolarHBondContact CE-OE1 3.44Å; K492-E496 IonicContact NZ-OE1 3.08Å; K492-E496 PolarHBondContact NZ-OE1 3.33Å; K492-E496 WeakPolarHBondContact O-CG 3.39Å; K492-E496 PolarHBondContact O-N 3.43Å; K492-L511 HydrophobicContact CB-CB 4.16Å; K492-L511 HydrophobicContact CG-CB 4.33Å; K492-V515 HydrophobicContact CB-CG2 4.43Å; K492-V515 HydrophobicContact CD-CG2 4.12Å
493R95Very high92.3Very high139 Ų13959 Ų5953%0.52528%0.282SS..Hα-helixtrans-58.2-45180-174.4-169.9-61.6145.22.1111.8T489 S490 L491 E496 I497T489-R493 WeakPolarHBondContact O-CB 3.34Å; T489-R493 PolarHBondContact O-N 3.1Å; S490-R493 PolarHBondContact O-N 3.25Å; L491-R493 PolarHBondContact O-N 3.42Å; R493-E496 WeakPolarHBondContact O-CB 3.28Å; R493-E496 PolarHBondContact O-N 3.43Å; R493-I497 WeakPolarHBondContact O-CG1 3.31Å; R493-I497 PolarHBondContact O-N 3.12Å
494V93.1Very high92.1Very high2 Ų254.6 Ų54.61%0.01226%0.261CS..Hα-helixtrans-66.2-40.7178.9173.30000111.2S490 L491 K492 E496 I497 H498 L585 D588 L589 S592S490-V494 WeakPolarHBondContact O-CG2 3.49Å; S490-V494 PolarHBondContact O-N 3.23Å; L491-V494 PolarHBondContact O-N 3.29Å; K492-V494 VanDerWaalsContact C-N 3.34Å; K492-V494 PolarHBondContact O-N 3.18Å; V494-E496 VanDerWaalsContact C-N 3.29Å; V494-E496 PolarHBondContact O-N 2.89Å; V494-I497 PolarHBondContact O-N 2.9Å; V494-H498 PolarHBondContact O-CD2 2.91Å; V494-L585 HydrophobicContact CG1-CD1 3.71Å; V494-D588 HydrophobicContact CG1-CB 3.73Å; V494-D588 HydrophobicContact CG2-CB 4.49Å; V494-L589 HydrophobicContact CB-CD2 3.83Å; V494-L589 HydrophobicContact CB-CG 4.47Å; V494-L589 HydrophobicContact CG1-CB 4.47Å; V494-L589 HydrophobicContact CG1-CD2 3.54Å; V494-L589 HydrophobicContact CG1-CG 3.64Å; V494-L589 HydrophobicContact CG2-CD2 4.37Å; V494-S592 WeakPolarHBondContact CG2-OG 3.49Å
495C92.3Very high91.9Very high3 Ų355.7 Ų55.72%0.0227%0.273CS..Hα-helixtrans-62.6-34.7173.4-700000112.8L491 K492 H498 K499 L504 I508 L511L491-C495 PolarHBondContact O-N 3.37Å; L491-C495 PolarHBondContact O-SG 2.98Å; L491-C495 VanDerWaalsContact O-SG 3.37Å; K492-C495 PolarHBondContact O-N 3.23Å; C495-H498 CarbonylContact O-C 3.51Å; C495-H498 PolarHBondContact O-N 3.11Å; C495-K499 PolarHBondContact O-N 3.42Å; C495-K499 VanDerWaalsContact O-N 3.16Å; C495-L504 HydrophobicContact CB-CD1 4.14Å; C495-I508 HydrophobicContact CB-CD1 4.48Å; C495-I508 HydrophobicContact CB-CG1 3.89Å; C495-L511 HydrophobicContact CB-CD1 4.45Å
496E94.1Very high91.6Very high82 Ų8258.6 Ų58.638%0.38329%0.287SS..Hα-helixtrans-64.3-38.7177-76.2169.9170.500113.1K492 R493 V494 H498 K499 I508K492-E496 WeakPolarHBondContact CE-OE1 3.44Å; K492-E496 IonicContact NZ-OE1 3.08Å; K492-E496 PolarHBondContact NZ-OE1 3.33Å; K492-E496 WeakPolarHBondContact O-CG 3.39Å; K492-E496 PolarHBondContact O-N 3.43Å; R493-E496 WeakPolarHBondContact O-CB 3.28Å; R493-E496 PolarHBondContact O-N 3.43Å; V494-E496 VanDerWaalsContact C-N 3.29Å; V494-E496 PolarHBondContact O-N 2.89Å; E496-H498 PolarHBondContact O-N 3.02Å; E496-K499 VanDerWaalsContact O-CB 3.28Å; E496-K499 WeakPolarHBondContact O-CB 3.47Å; E496-K499 PolarHBondContact O-N 3.33Å; E496-I508 HydrophobicContact CG-CD1 4.15Å; E496-I508 HydrophobicContact CG-CG1 4.29Å; E496-I508 HydrophobicContact CG-CG2 3.74Å
497I93.2Very high91.6Very high109 Ų10954.9 Ų54.956%0.55927%0.267SS*.Hα-helixtrans-57.3-39.7176.7-65.3168.5000110.7R493 V494R493-I497 WeakPolarHBondContact O-CG1 3.31Å; R493-I497 PolarHBondContact O-N 3.12Å; V494-I497 PolarHBondContact O-N 2.9Å
498H91.2Very high91.7Very high12 Ų1252.6 Ų52.66%0.05626%0.256CS..THydrogen-bonded Turntrans-99.714.3-176-63.6-72.9000113.7V494 C495 E496 E500 L502 L504 L585 D588V494-H498 PolarHBondContact O-CD2 2.91Å; C495-H498 CarbonylContact O-C 3.51Å; C495-H498 PolarHBondContact O-N 3.11Å; E496-H498 PolarHBondContact O-N 3.02Å; H498-E500 PolarHBondContact O-N 3.46Å; H498-L502 HydrophobicContact CB-CD1 4.03Å; H498-L502 PolarHBondContact O-N 3.41Å; H498-L504 HydrophobicContact CB-CD1 4.41Å; H498-L585 HydrophobicContact CB-CB 4.49Å; H498-L585 HydrophobicContact CB-CD1 4.23Å; H498-D588 IonicContact CD2-OD2 3.7Å; H498-D588 IonicContact CE1-OD2 3.07Å; H498-D588 IonicContact NE2-OD2 3.33Å; H498-D588 PolarHBondContact NE2-OD2 2.95Å
499K90.4Very high91.7Very high81 Ų8156.3 Ų56.335%0.35228%0.279SS..Hα-helixtrans-54.3-54.4-172.6177.3-172.9170.7-143.70113.6C495 E496 D503 L504 I508C495-K499 PolarHBondContact O-N 3.42Å; C495-K499 VanDerWaalsContact O-N 3.16Å; E496-K499 VanDerWaalsContact O-CB 3.28Å; E496-K499 WeakPolarHBondContact O-CB 3.47Å; E496-K499 PolarHBondContact O-N 3.33Å; K499-D503 VanDerWaalsContact O-CA 3.25Å; K499-D503 WeakPolarHBondContact O-CA 3.12Å; K499-D503 PolarHBondContact O-N 2.79Å; K499-L504 PolarHBondContact O-N 3.47Å; K499-L504 VanDerWaalsContact O-N 3.16Å; K499-I508 HydrophobicContact CB-CD1 3.66Å; K499-I508 HydrophobicContact CD-CD1 4.06Å; K499-I508 HydrophobicContact CG-CD1 3.65Å
500E86.4Confident91.8Very high157 Ų15758.2 Ų58.273%0.73428%0.282SS*.Hα-helixtrans-73-36.3-171.9-61.7-60.8146.200112H498H498-E500 PolarHBondContact O-N 3.46Å
501Q84.6Confident91.9Very high127 Ų12757 Ų5759%0.59327%0.274SS*.Hα-helixtrans-72.7-33.6-176.9-63.3179-4.400112.7A581Q501-A581 HydrophobicContact CB-CB 3.98Å; Q501-A581 VanDerWaalsContact OE1-CB 3.29Å
502L86.5Confident92.1Very high3 Ų357 Ų572%0.01628%0.276CS..Hα-helixtrans-112.70.7-173.4-62.9-179.2000113.3H498 L504 R565 L566 V578 A581 V582 L585H498-L502 HydrophobicContact CB-CD1 4.03Å; H498-L502 PolarHBondContact O-N 3.41Å; L502-L504 HydrophobicContact CB-CD1 4.11Å; L502-L504 HydrophobicContact CB-CD2 4.1Å; L502-L504 HydrophobicContact CB-CG 3.79Å; L502-L504 HydrophobicContact CD1-CD1 4.36Å; L502-R565 VanDerWaalsContact O-CZ 3.24Å; L502-R565 PolarHBondContact O-NH1 3.43Å; L502-R565 PolarHBondContact O-NH2 2.96Å; L502-L566 HydrophobicContact CB-CD2 4.11Å; L502-L566 HydrophobicContact CD1-CD2 4.16Å; L502-L566 HydrophobicContact CD2-CD2 4.17Å; L502-L566 HydrophobicContact CG-CD2 4.38Å; L502-V578 HydrophobicContact CD2-CG1 3.82Å; L502-A581 HydrophobicContact CD2-CB 3.74Å; L502-A581 HydrophobicContact CG-CB 4.1Å; L502-V582 HydrophobicContact CD1-CG2 4.13Å; L502-V582 HydrophobicContact CD2-CG2 3.55Å; L502-L585 HydrophobicContact CD1-CB 4.04Å; L502-L585 HydrophobicContact CD1-CD2 3.77Å; L502-L585 HydrophobicContact CD1-CG 4.46Å
503D85.6Confident92.2Very high106 Ų10657.1 Ų57.157%0.56728%0.281SS*.THydrogen-bonded Turntrans49.662.7-176-179.827.7000111.3K499 R565K499-D503 VanDerWaalsContact O-CA 3.25Å; K499-D503 WeakPolarHBondContact O-CA 3.12Å; K499-D503 PolarHBondContact O-N 2.79Å; D503-R565 PolarHBondContact O-NH2 3.33Å
504L90.7Very high92.3Very high1 Ų150.6 Ų50.61%0.00526%0.257CS..  trans-96.612.1-178.7-58.8178.1000112.7C495 H498 K499 L502 Q506 L507 I508 C562 L566 L585C495-L504 HydrophobicContact CB-CD1 4.14Å; H498-L504 HydrophobicContact CB-CD1 4.41Å; K499-L504 PolarHBondContact O-N 3.47Å; K499-L504 VanDerWaalsContact O-N 3.16Å; L502-L504 HydrophobicContact CB-CD1 4.11Å; L502-L504 HydrophobicContact CB-CD2 4.1Å; L502-L504 HydrophobicContact CB-CG 3.79Å; L502-L504 HydrophobicContact CD1-CD1 4.36Å; L504-Q506 VanDerWaalsContact C-N 3.34Å; L504-Q506 PolarHBondContact O-N 3.04Å; L504-L507 HydrophobicContact CD2-CD2 4.48Å; L504-L507 PolarHBondContact O-N 3.08Å; L504-L507 VanDerWaalsContact O-N 3.14Å; L504-I508 HydrophobicContact CB-CD1 3.94Å; L504-I508 HydrophobicContact CB-CG1 4.27Å; L504-I508 WeakPolarHBondContact O-CD1 3.43Å; L504-I508 VanDerWaalsContact O-CG1 3.27Å; L504-I508 WeakPolarHBondContact O-CG1 3.47Å; L504-I508 PolarHBondContact O-N 3.48Å; L504-C562 WeakPolarHBondContact CD2-SG 3.27Å; L504-L566 HydrophobicContact CD2-CD1 4.14Å; L504-L566 HydrophobicContact CD2-CD2 4.33Å; L504-L585 HydrophobicContact CD1-CD2 4.43Å
505A91.1Very high92.5Very high36 Ų3651.3 Ų51.330%0.29826%0.261SS..Hα-helixtrans-54.2-48-170.400000112.5I508 V509A505-I508 PolarHBondContact O-N 3.14Å; A505-V509 WeakPolarHBondContact O-CG2 3.5Å; A505-V509 PolarHBondContact O-N 3.34Å
506Q89.5Confident92.8Very high94 Ų9456.1 Ų56.144%0.43929%0.286SS..Hα-helixtrans-66.3-42-179.6-172.666.8-10.400112.5L504 I508 V509 R510 A558L504-Q506 VanDerWaalsContact C-N 3.34Å; L504-Q506 PolarHBondContact O-N 3.04Å; Q506-I508 VanDerWaalsContact C-N 3.32Å; Q506-I508 PolarHBondContact O-N 3.41Å; Q506-V509 PolarHBondContact O-N 3.25Å; Q506-R510 WeakPolarHBondContact O-CG 3.27Å; Q506-R510 PolarHBondContact O-N 2.84Å; Q506-R510 VanDerWaalsContact O-N 3.1Å; Q506-A558 HydrophobicContact CG-CB 4.29Å
507L93.2Very high93Very high5 Ų553.1 Ų53.13%0.02627%0.273CS..Hα-helixtrans-62.7-41.1177.8-175.867000111.2L504 R510 L511 Y555 A558 L602L504-L507 HydrophobicContact CD2-CD2 4.48Å; L504-L507 PolarHBondContact O-N 3.08Å; L504-L507 VanDerWaalsContact O-N 3.14Å; L507-R510 PolarHBondContact O-N 2.82Å; L507-L511 HydrophobicContact CG-CD1 4.08Å; L507-L511 WeakPolarHBondContact O-CB 3.42Å; L507-L511 WeakPolarHBondContact O-CG 3.42Å; L507-L511 PolarHBondContact O-N 2.98Å; L507-Y555 HydrophobicContact CD1-CD2 4.21Å; L507-Y555 HydrophobicContact CD1-CE2 3.68Å; L507-A558 HydrophobicContact CD1-CB 4.36Å; L507-L602 HydrophobicContact CD2-CD2 4.25Å
508I94.7Very high93.1Very high17 Ų1748.1 Ų48.19%0.08725%0.247CC..Hα-helixtrans-63.5-43.4177.8-68.2160.5000110.9C495 E496 K499 L504 A505 Q506 R510 L511 G512C495-I508 HydrophobicContact CB-CD1 4.48Å; C495-I508 HydrophobicContact CB-CG1 3.89Å; E496-I508 HydrophobicContact CG-CD1 4.15Å; E496-I508 HydrophobicContact CG-CG1 4.29Å; E496-I508 HydrophobicContact CG-CG2 3.74Å; K499-I508 HydrophobicContact CB-CD1 3.66Å; K499-I508 HydrophobicContact CD-CD1 4.06Å; K499-I508 HydrophobicContact CG-CD1 3.65Å; L504-I508 HydrophobicContact CB-CD1 3.94Å; L504-I508 HydrophobicContact CB-CG1 4.27Å; L504-I508 WeakPolarHBondContact O-CD1 3.43Å; L504-I508 VanDerWaalsContact O-CG1 3.27Å; L504-I508 WeakPolarHBondContact O-CG1 3.47Å; L504-I508 PolarHBondContact O-N 3.48Å; A505-I508 PolarHBondContact O-N 3.14Å; Q506-I508 VanDerWaalsContact C-N 3.32Å; Q506-I508 PolarHBondContact O-N 3.41Å; I508-R510 VanDerWaalsContact C-N 3.33Å; I508-R510 PolarHBondContact O-N 2.88Å; I508-L511 PolarHBondContact O-N 3.5Å; I508-G512 PolarHBondContact O-N 3.29Å
509V95.7Very high93.4Very high82 Ų8250.4 Ų50.450%0.49727%0.265SS..Hα-helixtrans-59.4-45.9176171.10000110.4A505 Q506 G512 T513A505-V509 WeakPolarHBondContact O-CG2 3.5Å; A505-V509 PolarHBondContact O-N 3.34Å; Q506-V509 PolarHBondContact O-N 3.25Å; V509-G512 PolarHBondContact O-N 3.33Å; V509-T513 PolarHBondContact O-N 2.86Å; V509-T513 VanDerWaalsContact O-N 3.15Å; V509-T513 PolarHBondContact O-OG1 3.09Å
510R96.1Very high93.7Very high79 Ų7949.7 Ų49.730%0.29827%0.267SS..Hα-helixtrans-67.1-41178.4-58.5-45.7176.3-167-0.6112.9Q506 L507 I508 G512 T513 L514 Y555 A558Q506-R510 WeakPolarHBondContact O-CG 3.27Å; Q506-R510 PolarHBondContact O-N 2.84Å; Q506-R510 VanDerWaalsContact O-N 3.1Å; L507-R510 PolarHBondContact O-N 2.82Å; I508-R510 VanDerWaalsContact C-N 3.33Å; I508-R510 PolarHBondContact O-N 2.88Å; R510-G512 VanDerWaalsContact C-N 3.28Å; R510-G512 PolarHBondContact O-N 3.44Å; R510-T513 PolarHBondContact O-N 3.39Å; R510-L514 PolarHBondContact O-N 3.38Å; R510-L514 VanDerWaalsContact O-N 3.09Å; R510-Y555 HydrophobicContact CB-CD2 4.22Å; R510-A558 HydrophobicContact CB-CB 4.41Å; R510-A558 HydrophobicContact CG-CB 3.78Å
511L96.8Very high94.1Very high0 Ų042.2 Ų42.20%023%0.233CC..Hα-helixtrans-60.9-38.2172.8-78.6170.1000111.6L488 L491 K492 C495 L507 I508 L514 V515 Y555L488-L511 HydrophobicContact CD2-CD2 4.39Å; L491-L511 HydrophobicContact CD2-CD2 3.88Å; L491-L511 HydrophobicContact CG-CD1 4.14Å; L491-L511 HydrophobicContact CG-CD2 4.26Å; K492-L511 HydrophobicContact CB-CB 4.16Å; K492-L511 HydrophobicContact CG-CB 4.33Å; C495-L511 HydrophobicContact CB-CD1 4.45Å; L507-L511 HydrophobicContact CG-CD1 4.08Å; L507-L511 WeakPolarHBondContact O-CB 3.42Å; L507-L511 WeakPolarHBondContact O-CG 3.42Å; L507-L511 PolarHBondContact O-N 2.98Å; I508-L511 PolarHBondContact O-N 3.5Å; L511-L514 PolarHBondContact O-N 3.15Å; L511-V515 VanDerWaalsContact O-CG2 3.29Å; L511-V515 WeakPolarHBondContact O-CG2 3.44Å; L511-V515 PolarHBondContact O-N 3.29Å; L511-Y555 HydrophobicContact CD2-CD2 4.11Å; L511-Y555 HydrophobicContact CD2-CE2 3.42Å; L511-Y555 VanDerWaalsContact CD2-CE2 3.42Å; L511-Y555 HydrophobicContact CG-CD2 4.28Å; L511-Y555 HydrophobicContact CG-CE2 3.75Å
512G97.6Very high94.5Very high9 Ų936.8 Ų36.89%0.09321%0.208CC..Hα-helixtrans-56.1-52.5173.500000111.9I508 V509 R510 L514 V515 D516I508-G512 PolarHBondContact O-N 3.29Å; V509-G512 PolarHBondContact O-N 3.33Å; R510-G512 VanDerWaalsContact C-N 3.28Å; R510-G512 PolarHBondContact O-N 3.44Å; G512-L514 VanDerWaalsContact C-N 3.28Å; G512-L514 PolarHBondContact O-N 2.84Å; G512-V515 WeakPolarHBondContact O-CB 3.34Å; G512-V515 PolarHBondContact O-N 3.09Å; G512-V515 VanDerWaalsContact O-N 3.09Å; G512-D516 VanDerWaalsContact O-CG 3.25Å; G512-D516 PolarHBondContact O-N 3.31Å
513T97.9Very high94.8Very high56 Ų5637.8 Ų37.834%0.34422%0.219SC..Hα-helixtrans-57.4-40.3176.3-49.30000112.5V509 R510 D516 L517 A551V509-T513 PolarHBondContact O-N 2.86Å; V509-T513 VanDerWaalsContact O-N 3.15Å; V509-T513 PolarHBondContact O-OG1 3.09Å; R510-T513 PolarHBondContact O-N 3.39Å; T513-D516 PolarHBondContact O-N 3.15Å; T513-L517 HydrophobicContact CG2-CD1 4.22Å; T513-L517 WeakPolarHBondContact O-CB 3.15Å; T513-L517 WeakPolarHBondContact O-CG 3.5Å; T513-L517 PolarHBondContact O-N 2.87Å; T513-A551 HydrophobicContact CG2-CB 3.96Å
514L98Very high95Very high2 Ų236 Ų361%0.0121%0.206CC..Hα-helixtrans-66.7-40.2176.1-67.2-173.8000112.8L488 R510 L511 G512 S518 A551 Y552 Y555 P605L488-L514 HydrophobicContact CD1-CB 4.21Å; R510-L514 PolarHBondContact O-N 3.38Å; R510-L514 VanDerWaalsContact O-N 3.09Å; L511-L514 PolarHBondContact O-N 3.15Å; G512-L514 VanDerWaalsContact C-N 3.28Å; G512-L514 PolarHBondContact O-N 2.84Å; L514-S518 WeakPolarHBondContact O-CB 3.19Å; L514-S518 PolarHBondContact O-N 3.44Å; L514-A551 HydrophobicContact CD2-CB 3.79Å; L514-Y552 HydrophobicContact CD1-CD1 4.23Å; L514-Y552 HydrophobicContact CD1-CE1 4Å; L514-Y552 HydrophobicContact CD2-CD1 3.98Å; L514-Y552 HydrophobicContact CD2-CD2 4.01Å; L514-Y552 HydrophobicContact CD2-CE1 3.95Å; L514-Y552 HydrophobicContact CD2-CE2 3.99Å; L514-Y552 HydrophobicContact CD2-CG 4.01Å; L514-Y555 HydrophobicContact CD1-CD1 4.04Å; L514-Y555 HydrophobicContact CD1-CD2 3.74Å; L514-Y555 HydrophobicContact CD1-CE2 4.37Å; L514-Y555 HydrophobicContact CD1-CG 3.54Å; L514-P605 HydrophobicContact CD1-CB 4.14Å
515V98.1Very high94.8Very high16 Ų1636 Ų3610%0.09721%0.206CC..Hα-helixtrans-61.9-45.1175.9168.80000110.3H485 L488 K492 L511 G512 S518 S519H485-V515 PolarHBondContact CE1-O 3.24Å; H485-V515 PolarHBondContact ND1-O 3.29Å; L488-V515 HydrophobicContact CB-CG2 3.8Å; K492-V515 HydrophobicContact CB-CG2 4.43Å; K492-V515 HydrophobicContact CD-CG2 4.12Å; L511-V515 VanDerWaalsContact O-CG2 3.29Å; L511-V515 WeakPolarHBondContact O-CG2 3.44Å; L511-V515 PolarHBondContact O-N 3.29Å; G512-V515 WeakPolarHBondContact O-CB 3.34Å; G512-V515 PolarHBondContact O-N 3.09Å; G512-V515 VanDerWaalsContact O-N 3.09Å; V515-S518 PolarHBondContact O-N 3.46Å; V515-S519 WeakPolarHBondContact O-CB 3.37Å; V515-S519 PolarHBondContact O-N 3.44Å
516D98.2Very high94.6Very high104 Ų10437.5 Ų37.556%0.55621%0.207SC*.Hα-helixtrans-65.2-43.5-180-62.4-25.3000111.8G512 T513 S519 T520G512-D516 VanDerWaalsContact O-CG 3.25Å; G512-D516 PolarHBondContact O-N 3.31Å; T513-D516 PolarHBondContact O-N 3.15Å; D516-S519 PolarHBondContact O-N 3.09Å; D516-T520 WeakPolarHBondContact O-CB 3.27Å; D516-T520 PolarHBondContact O-N 2.9Å; D516-T520 PolarHBondContact O-OG1 2.94Å
517L97.3Very high94.2Very high20 Ų2039.6 Ų39.611%0.10522%0.217CC..Hα-helixtrans-67.1-41.1175.8-72.9176.1000112.2T513 S519 T520 L521 M544 Q547 L548 A551T513-L517 HydrophobicContact CG2-CD1 4.22Å; T513-L517 WeakPolarHBondContact O-CB 3.15Å; T513-L517 WeakPolarHBondContact O-CG 3.5Å; T513-L517 PolarHBondContact O-N 2.87Å; L517-S519 VanDerWaalsContact C-N 3.34Å; L517-T520 PolarHBondContact O-N 3.24Å; L517-L521 WeakPolarHBondContact O-CB 3.48Å; L517-L521 PolarHBondContact O-N 2.94Å; L517-M544 HydrophobicContact CD2-CE 4.41Å; L517-M544 WeakPolarHBondContact O-CE 3.46Å; L517-Q547 HydrophobicContact CD1-CB 4.49Å; L517-Q547 HydrophobicContact CD2-CB 3.99Å; L517-L548 HydrophobicContact CB-CD2 4.23Å; L517-L548 HydrophobicContact CD1-CD2 4.48Å; L517-A551 HydrophobicContact CD1-CB 3.33Å
518S96.6Very high93.2Very high3 Ų339.5 Ų39.52%0.02122%0.216CC..Hα-helixtrans-64.1-40.6175.6174.50000111.2H485 L514 V515 L521 V522H485-S518 WeakPolarHBondContact CA-OG 3.25Å; H485-S518 VanDerWaalsContact CB-OG 3.29Å; H485-S518 WeakPolarHBondContact CB-OG 3.45Å; H485-S518 PolarHBondContact ND1-OG 2.88Å; L514-S518 WeakPolarHBondContact O-CB 3.19Å; L514-S518 PolarHBondContact O-N 3.44Å; V515-S518 PolarHBondContact O-N 3.46Å; S518-L521 PolarHBondContact O-N 2.94Å; S518-V522 VanDerWaalsContact O-CG2 3.31Å; S518-V522 WeakPolarHBondContact O-CG2 3.1Å; S518-V522 PolarHBondContact O-N 3.41Å
519S97.1Very high92Very high61 Ų6142.9 Ų42.943%0.42723%0.231SC..Hα-helixtrans-61.6-45.6173.8-169.70000111.5H485 V515 D516 L517 L521 V522 G523H485-S519 PolarHBondContact ND1-N 3.37Å; V515-S519 WeakPolarHBondContact O-CB 3.37Å; V515-S519 PolarHBondContact O-N 3.44Å; D516-S519 PolarHBondContact O-N 3.09Å; L517-S519 VanDerWaalsContact C-N 3.34Å; S519-L521 VanDerWaalsContact C-N 3.34Å; S519-L521 PolarHBondContact O-N 3.45Å; S519-V522 PolarHBondContact O-N 2.96Å; S519-G523 PolarHBondContact O-N 3.04Å
520T96.2Very high90.6Very high66 Ų6645.7 Ų45.741%0.40524%0.244SC..Hα-helixtrans-61.7-42.6177-57.80000111.4D516 L517 G523 K524 M544D516-T520 WeakPolarHBondContact O-CB 3.27Å; D516-T520 PolarHBondContact O-N 2.9Å; D516-T520 PolarHBondContact O-OG1 2.94Å; L517-T520 PolarHBondContact O-N 3.24Å; T520-G523 PolarHBondContact O-N 2.9Å; T520-K524 WeakPolarHBondContact O-CG 3.36Å; T520-K524 PolarHBondContact O-N 3.35Å; T520-M544 HydrophobicContact CG2-CE 4.04Å; T520-M544 HydrophobicContact CG2-SD 4.49Å
521L94.2Very high89.1Confident0 Ų049.2 Ų49.20%026%0.264CS..Hα-helixtrans-63.1-51177.2179.861.6000110.5L517 S518 S519 G523 K524 L525 T540 F541 M544 Y612L517-L521 WeakPolarHBondContact O-CB 3.48Å; L517-L521 PolarHBondContact O-N 2.94Å; S518-L521 PolarHBondContact O-N 2.94Å; S519-L521 VanDerWaalsContact C-N 3.34Å; S519-L521 PolarHBondContact O-N 3.45Å; L521-G523 VanDerWaalsContact C-N 3.32Å; L521-G523 PolarHBondContact O-N 3.22Å; L521-K524 PolarHBondContact O-N 2.83Å; L521-L525 HydrophobicContact CD1-CD1 3.93Å; L521-L525 HydrophobicContact CD1-CD2 4.39Å; L521-L525 HydrophobicContact CD1-CG 3.95Å; L521-L525 HydrophobicContact CG-CD1 3.95Å; L521-L525 HydrophobicContact CG-CG 4.3Å; L521-L525 WeakPolarHBondContact O-CB 3.28Å; L521-L525 VanDerWaalsContact O-CG 3.25Å; L521-L525 WeakPolarHBondContact O-CG 3.22Å; L521-L525 PolarHBondContact O-N 3.29Å; L521-T540 HydrophobicContact CD1-CG2 3.92Å; L521-F541 HydrophobicContact CD1-CE1 4.2Å; L521-F541 HydrophobicContact CD1-CE2 4.4Å; L521-F541 HydrophobicContact CD1-CZ 4.1Å; L521-F541 HydrophobicContact CD2-CE1 4.03Å; L521-F541 HydrophobicContact CD2-CZ 4.07Å; L521-M544 HydrophobicContact CB-CE 3.81Å; L521-M544 HydrophobicContact CB-SD 3.87Å; L521-M544 HydrophobicContact CD1-SD 3.67Å; L521-M544 HydrophobicContact CG-SD 4.38Å; L521-Y612 HydrophobicContact CD2-CE1 4.27Å
522V94.2Very high87.7Confident13 Ų1352.6 Ų52.68%0.07929%0.285CS..Hα-helixtrans-55.8-48.4176.7170.70000110.6E481 R482 H485 S518 S519 K524 L525 E526E481-V522 HydrophobicContact CB-CG2 4.04Å; R482-V522 HydrophobicContact CG-CG1 3.97Å; H485-V522 HydrophobicContact CB-CG2 4.41Å; S518-V522 VanDerWaalsContact O-CG2 3.31Å; S518-V522 WeakPolarHBondContact O-CG2 3.1Å; S518-V522 PolarHBondContact O-N 3.41Å; S519-V522 PolarHBondContact O-N 2.96Å; V522-K524 PolarHBondContact O-N 2.97Å; V522-L525 PolarHBondContact O-N 3.1Å; V522-E526 HydrophobicContact CG1-CG 4.26Å; V522-E526 WeakPolarHBondContact O-CB 3.04Å; V522-E526 VanDerWaalsContact O-CG 3.3Å; V522-E526 WeakPolarHBondContact O-CG 2.75Å; V522-E526 PolarHBondContact O-N 3.3Å
523G91.4Very high86.7Confident23 Ų2355.8 Ų55.824%0.23730%0.3CS..Hα-helixtrans-62.1-38.6179.800000113.7S519 T520 L521 Q527S519-G523 PolarHBondContact O-N 3.04Å; T520-G523 PolarHBondContact O-N 2.9Å; L521-G523 VanDerWaalsContact C-N 3.32Å; L521-G523 PolarHBondContact O-N 3.22Å; G523-Q527 WeakPolarHBondContact O-CG 3.43Å; G523-Q527 PolarHBondContact O-N 3.34Å
524K90.3Very high85.9Confident69 Ų6953.7 Ų53.730%0.329%0.287SS..Hα-helixtrans-68.8-42.3173.9-74.1-174178.4-171.10111.9T520 L521 V522 E526 Q527 T528 T540 M544T520-K524 WeakPolarHBondContact O-CG 3.36Å; T520-K524 PolarHBondContact O-N 3.35Å; L521-K524 PolarHBondContact O-N 2.83Å; V522-K524 PolarHBondContact O-N 2.97Å; K524-E526 VanDerWaalsContact C-N 3.34Å; K524-E526 PolarHBondContact O-N 2.85Å; K524-Q527 WeakPolarHBondContact O-CB 3.42Å; K524-Q527 PolarHBondContact O-N 3.17Å; K524-T528 WeakPolarHBondContact O-CG2 3.38Å; K524-T528 PolarHBondContact O-N 3.34Å; K524-T540 HydrophobicContact CB-CG2 3.64Å; K524-T540 HydrophobicContact CD-CG2 3.92Å; K524-T540 HydrophobicContact CG-CG2 4.46Å; K524-M544 HydrophobicContact CD-SD 4Å
525L87.1Confident85.2Confident0 Ų054.2 Ų54.20%029%0.292CS..Hα-helixtrans-68.4-33.2178.6-63.9-177.8000112L478 L521 V522 Q527 T528 Q529 F537 T540 F541L478-L525 VanDerWaalsContact CD1-C 3.45Å; L478-L525 HydrophobicContact CD1-CB 3.64Å; L521-L525 HydrophobicContact CD1-CD1 3.93Å; L521-L525 HydrophobicContact CD1-CD2 4.39Å; L521-L525 HydrophobicContact CD1-CG 3.95Å; L521-L525 HydrophobicContact CG-CD1 3.95Å; L521-L525 HydrophobicContact CG-CG 4.3Å; L521-L525 WeakPolarHBondContact O-CB 3.28Å; L521-L525 VanDerWaalsContact O-CG 3.25Å; L521-L525 WeakPolarHBondContact O-CG 3.22Å; L521-L525 PolarHBondContact O-N 3.29Å; V522-L525 PolarHBondContact O-N 3.1Å; L525-Q527 VanDerWaalsContact C-N 3.3Å; L525-Q527 PolarHBondContact O-N 2.89Å; L525-T528 WeakPolarHBondContact O-CB 3.31Å; L525-T528 PolarHBondContact O-N 3.27Å; L525-T528 VanDerWaalsContact O-N 3.08Å; L525-T528 PolarHBondContact O-OG1 2.94Å; L525-Q529 PolarHBondContact O-N 3.46Å; L525-F537 HydrophobicContact CD1-CE2 3.99Å; L525-F537 HydrophobicContact CD1-CZ 4.08Å; L525-F537 HydrophobicContact CD2-CD2 3.6Å; L525-F537 HydrophobicContact CD2-CE2 3.47Å; L525-F537 VanDerWaalsContact CD2-CE2 3.47Å; L525-F537 HydrophobicContact CD2-CG 4.2Å; L525-F537 HydrophobicContact CD2-CZ 3.97Å; L525-F537 HydrophobicContact CG-CE2 4.21Å; L525-T540 HydrophobicContact CD2-CG2 3.87Å; L525-T540 HydrophobicContact CG-CG2 4.45Å; L525-F541 HydrophobicContact CD1-CE2 4.18Å; L525-F541 HydrophobicContact CD1-CZ 4.4Å; L525-F541 HydrophobicContact CD2-CE2 4.25Å
526E86.8Confident84.5Confident68 Ų6857.3 Ų57.332%0.31831%0.308SS..Hα-helixtrans-62.4-36.1173-77.9-180139.700112.4L478 R482 V522 K524 T528 Q529L478-E526 HydrophobicContact CD1-CG 4.08Å; R482-E526 IonicContact CZ-OE1 2.8Å; R482-E526 IonicContact NE-OE1 3.05Å; R482-E526 IonicContact NH1-OE1 2.76Å; R482-E526 PolarHBondContact NH1-OE1 3.43Å; R482-E526 IonicContact NH2-OE1 2.73Å; R482-E526 PolarHBondContact NH2-OE1 3.27Å; V522-E526 HydrophobicContact CG1-CG 4.26Å; V522-E526 WeakPolarHBondContact O-CB 3.04Å; V522-E526 VanDerWaalsContact O-CG 3.3Å; V522-E526 WeakPolarHBondContact O-CG 2.75Å; V522-E526 PolarHBondContact O-N 3.3Å; K524-E526 VanDerWaalsContact C-N 3.34Å; K524-E526 PolarHBondContact O-N 2.85Å; E526-T528 PolarHBondContact O-N 3.05Å; E526-Q529 WeakPolarHBondContact O-CB 3.48Å; E526-Q529 PolarHBondContact O-N 3.37Å; E526-Q529 VanDerWaalsContact O-N 3.11Å
527Q81.6Confident83.9Confident139 Ų13952.4 Ų52.465%0.6528%0.281SS*.Hα-helixtrans-62-32.4174.4-66.6168.324.500111.4G523 K524 L525G523-Q527 WeakPolarHBondContact O-CG 3.43Å; G523-Q527 PolarHBondContact O-N 3.34Å; K524-Q527 WeakPolarHBondContact O-CB 3.42Å; K524-Q527 PolarHBondContact O-N 3.17Å; L525-Q527 VanDerWaalsContact C-N 3.3Å; L525-Q527 PolarHBondContact O-N 2.89Å
528T71.8Confident83.4Confident3 Ų351.4 Ų51.42%0.01828%0.276CS..Hα-helixtrans-75.9-22.9175.777.60000113.4K524 L525 E526 N530 Q531 L536K524-T528 WeakPolarHBondContact O-CG2 3.38Å; K524-T528 PolarHBondContact O-N 3.34Å; L525-T528 WeakPolarHBondContact O-CB 3.31Å; L525-T528 PolarHBondContact O-N 3.27Å; L525-T528 VanDerWaalsContact O-N 3.08Å; L525-T528 PolarHBondContact O-OG1 2.94Å; E526-T528 PolarHBondContact O-N 3.05Å; T528-N530 PolarHBondContact O-N 3.47Å; T528-Q531 CarbonylContact O-C 3.49Å; T528-Q531 PolarHBondContact O-N 3.29Å; T528-Q531 VanDerWaalsContact O-N 3.15Å; T528-L536 HydrophobicContact CG2-CB 4.17Å; T528-L536 HydrophobicContact CG2-CD2 3.57Å; T528-L536 HydrophobicContact CG2-CG 3.58Å
529Q70.3Confident83.1Confident87 Ų8753.9 Ų53.941%0.40729%0.287SS..Hα-helixtrans-64.9-28.2-179.1-170174.114.300112.5L525 E526 Q531L525-Q529 PolarHBondContact O-N 3.46Å; E526-Q529 WeakPolarHBondContact O-CB 3.48Å; E526-Q529 PolarHBondContact O-N 3.37Å; E526-Q529 VanDerWaalsContact O-N 3.11Å; Q529-Q531 VanDerWaalsContact C-N 3.29Å; Q529-Q531 PolarHBondContact O-N 2.9Å
530N65.5Low82.8Confident142 Ų14251.4 Ų51.476%0.75927%0.269SS*.THydrogen-bonded Turntrans-72.6-20.9178.4-67.8-33.6000113.3T528T528-N530 PolarHBondContact O-N 3.47Å
531Q65.3Low82.6Confident153 Ų15348.3 Ų48.372%0.71525%0.251SS*.SBendtrans-143.4100.8174.8-71-173.4-5.900108.6T528 Q529 N533T528-Q531 CarbonylContact O-C 3.49Å; T528-Q531 PolarHBondContact O-N 3.29Å; T528-Q531 VanDerWaalsContact O-N 3.15Å; Q529-Q531 VanDerWaalsContact C-N 3.29Å; Q529-Q531 PolarHBondContact O-N 2.9Å; Q531-N533 VanDerWaalsContact C-N 3.28Å; Q531-N533 PolarHBondContact O-N 2.8Å
532P66.6Low82.6Confident70 Ų7050.9 Ų50.946%0.45526%0.261SS..  trans-66.287.9-173.628.5-34.8000110.5I471I471-P532 HydrophobicContact CD1-CB 4.44Å; I471-P532 HydrophobicContact CD1-CG 4.03Å; I471-P532 HydrophobicContact CG1-CB 3.64Å; I471-P532 HydrophobicContact CG1-CG 3.79Å
533N76.9Confident82.5Confident76 Ų7654 Ų5441%0.40628%0.277SS..  trans-117.5102.2179-174.4-16.1000108Q531 A535 L536 F537Q531-N533 VanDerWaalsContact C-N 3.28Å; Q531-N533 PolarHBondContact O-N 2.8Å; N533-A535 PolarHBondContact O-N 3Å; N533-A535 WeakPolarHBondContact OD1-CB 3.4Å; N533-A535 PolarHBondContact OD1-N 2.78Å; N533-L536 HydrophobicContact CB-CB 4.26Å; N533-L536 PolarHBondContact O-N 3.24Å; N533-L536 VanDerWaalsContact O-N 3.14Å; N533-F537 PolarHBondContact O-N 3.11Å
534L80.5Confident82.6Confident12 Ų1253 Ų536%0.06327%0.266CS..Hα-helixtrans-61.9-28.9-179.4-92.869.4000111.9A470 I474 F537 G538 I622 A623 S627 L631A470-L534 HydrophobicContact CB-CD1 3.78Å; I474-L534 HydrophobicContact CD1-CD1 3.53Å; I474-L534 HydrophobicContact CD1-CG 4.25Å; L534-F537 WeakPolarHBondContact O-CB 3.41Å; L534-F537 PolarHBondContact O-N 2.89Å; L534-G538 PolarHBondContact O-N 2.88Å; L534-I622 HydrophobicContact CD2-CG1 4.21Å; L534-A623 HydrophobicContact CD2-CB 4.19Å; L534-S627 WeakPolarHBondContact CB-OG 3.37Å; L534-L631 HydrophobicContact CB-CD1 4.4Å; L534-L631 HydrophobicContact CD2-CD1 4.31Å
535A83.2Confident82.8Confident14 Ų1449.9 Ų49.912%0.11625%0.253CS..Hα-helixtrans-62.7-43.2175.300000111.4N533 F537 G538 Q539 S627N533-A535 PolarHBondContact O-N 3Å; N533-A535 WeakPolarHBondContact OD1-CB 3.4Å; N533-A535 PolarHBondContact OD1-N 2.78Å; A535-F537 VanDerWaalsContact C-N 3.29Å; A535-F537 PolarHBondContact O-N 3.36Å; A535-G538 PolarHBondContact O-N 2.96Å; A535-Q539 WeakPolarHBondContact O-CB 3.4Å; A535-Q539 PolarHBondContact O-N 3.18Å; A535-S627 PolarHBondContact N-OG 3.24Å
536L83.6Confident83Confident81 Ų8157.4 Ų57.442%0.42428%0.282SS..Hα-helixtrans-67.5-32.3177.4-173.459.7000111.9T528 N533 T540T528-L536 HydrophobicContact CG2-CB 4.17Å; T528-L536 HydrophobicContact CG2-CD2 3.57Å; T528-L536 HydrophobicContact CG2-CG 3.58Å; N533-L536 HydrophobicContact CB-CB 4.26Å; N533-L536 PolarHBondContact O-N 3.24Å; N533-L536 VanDerWaalsContact O-N 3.14Å; L536-T540 WeakPolarHBondContact O-CB 3.39Å; L536-T540 PolarHBondContact O-N 3.14Å; L536-T540 PolarHBondContact O-OG1 2.92Å
537F84.9Confident83.5Confident0 Ų059.2 Ų59.20%029%0.291CS..Hα-helixtrans-64.2-49.8172.8-162.3-82.7000111.2I474 L477 L525 N533 L534 A535 Q539 T540 F541 L616 L619I474-F537 HydrophobicContact CG1-CD2 4.31Å; I474-F537 HydrophobicContact CG2-CD2 4.25Å; I474-F537 HydrophobicContact CG2-CE2 4.18Å; L477-F537 HydrophobicContact CD2-CE1 3.77Å; L477-F537 HydrophobicContact CD2-CE2 4.44Å; L477-F537 HydrophobicContact CD2-CZ 3.37Å; L477-F537 HydrophobicContact CG-CZ 4.07Å; L525-F537 HydrophobicContact CD1-CE2 3.99Å; L525-F537 HydrophobicContact CD1-CZ 4.08Å; L525-F537 HydrophobicContact CD2-CD2 3.6Å; L525-F537 HydrophobicContact CD2-CE2 3.47Å; L525-F537 VanDerWaalsContact CD2-CE2 3.47Å; L525-F537 HydrophobicContact CD2-CG 4.2Å; L525-F537 HydrophobicContact CD2-CZ 3.97Å; L525-F537 HydrophobicContact CG-CE2 4.21Å; N533-F537 PolarHBondContact O-N 3.11Å; L534-F537 WeakPolarHBondContact O-CB 3.41Å; L534-F537 PolarHBondContact O-N 2.89Å; A535-F537 VanDerWaalsContact C-N 3.29Å; A535-F537 PolarHBondContact O-N 3.36Å; F537-Q539 PolarHBondContact O-N 3.33Å; F537-T540 PolarHBondContact O-N 3.48Å; F537-F541 AromaticContact CD1-CD2 3.88Å; F537-F541 HydrophobicContact CD1-CD2 3.88Å; F537-F541 AromaticContact CD1-CE2 4Å; F537-F541 HydrophobicContact CD1-CE2 4Å; F537-F541 AromaticContact CE1-CD2 3.58Å; F537-F541 HydrophobicContact CE1-CD2 3.58Å; F537-F541 AromaticContact CE1-CE2 3.24Å; F537-F541 HydrophobicContact CE1-CE2 3.24Å; F537-F541 HydrophobicContact CE1-CZ 4.4Å; F537-F541 HydrophobicContact CZ-CD2 4.29Å; F537-F541 AromaticContact CZ-CE2 3.56Å; F537-F541 HydrophobicContact CZ-CE2 3.56Å; F537-F541 PolarHBondContact O-N 2.67Å; F537-L616 HydrophobicContact CD1-CD2 4.5Å; F537-L616 HydrophobicContact CE1-CD2 4.48Å; F537-L619 HydrophobicContact CD1-CD1 3.53Å; F537-L619 HydrophobicContact CE1-CD1 3.44Å; F537-L619 VanDerWaalsContact CE1-CD1 3.44Å; F537-L619 HydrophobicContact CG-CD1 4.37Å; F537-L619 HydrophobicContact CZ-CD1 4.24Å
538G87.8Confident84.1Confident0 Ų052.7 Ų52.70%026%0.26CS..Hα-helixtrans-57.7-46.8173.600000112L534 A535 T540 F541 Y542 A634L534-G538 PolarHBondContact O-N 2.88Å; A535-G538 PolarHBondContact O-N 2.96Å; G538-T540 VanDerWaalsContact C-N 3.35Å; G538-T540 PolarHBondContact O-N 3.09Å; G538-F541 PolarHBondContact O-N 2.73Å; G538-Y542 WeakPolarHBondContact O-CB 3.39Å; G538-Y542 PolarHBondContact O-N 2.99Å; G538-A634 VanDerWaalsContact O-CB 3.27Å; G538-A634 WeakPolarHBondContact O-CB 3.41Å
539Q89.6Confident85.1Confident55 Ų5552.7 Ų52.726%0.25726%0.261SS..Hα-helixtrans-60.2-42.4177.7-168.462.935.500112.4A535 F537 F541 Y542 D543 H630A535-Q539 WeakPolarHBondContact O-CB 3.4Å; A535-Q539 PolarHBondContact O-N 3.18Å; F537-Q539 PolarHBondContact O-N 3.33Å; Q539-F541 VanDerWaalsContact C-N 3.32Å; Q539-F541 PolarHBondContact O-N 2.82Å; Q539-Y542 WeakPolarHBondContact O-CB 3.43Å; Q539-Y542 PolarHBondContact O-N 3.36Å; Q539-Y542 VanDerWaalsContact O-N 3.16Å; Q539-D543 PolarHBondContact NE2-OD1 2.92Å; Q539-D543 WeakPolarHBondContact O-CB 3.39Å; Q539-D543 PolarHBondContact O-N 3.36Å; Q539-H630 PolarHBondContact OE1-ND1 3.34Å
540T90.9Very high86.3Confident8 Ų853 Ų535%0.04926%0.262CS..Hα-helixtrans-58.7-45177.9-62.20000111.4L521 K524 L525 L536 F537 G538 M544L521-T540 HydrophobicContact CD1-CG2 3.92Å; K524-T540 HydrophobicContact CB-CG2 3.64Å; K524-T540 HydrophobicContact CD-CG2 3.92Å; K524-T540 HydrophobicContact CG-CG2 4.46Å; L525-T540 HydrophobicContact CD2-CG2 3.87Å; L525-T540 HydrophobicContact CG-CG2 4.45Å; L536-T540 WeakPolarHBondContact O-CB 3.39Å; L536-T540 PolarHBondContact O-N 3.14Å; L536-T540 PolarHBondContact O-OG1 2.92Å; F537-T540 PolarHBondContact O-N 3.48Å; G538-T540 VanDerWaalsContact C-N 3.35Å; G538-T540 PolarHBondContact O-N 3.09Å; T540-M544 HydrophobicContact CG2-SD 4.27Å; T540-M544 WeakPolarHBondContact O-CB 3.43Å; T540-M544 VanDerWaalsContact O-CG 3.32Å; T540-M544 WeakPolarHBondContact O-CG 3.46Å; T540-M544 PolarHBondContact O-N 3.04Å; T540-M544 VanDerWaalsContact O-N 3.1Å
541F92.8Very high87.7Confident2 Ų246.7 Ų46.71%0.00923%0.23CC..Hα-helixtrans-68.5-37.6176.3-88.5-74.3000112.7L521 L525 F537 G538 Q539 M544 S545 Y612 L616 A634 L638L521-F541 HydrophobicContact CD1-CE1 4.2Å; L521-F541 HydrophobicContact CD1-CE2 4.4Å; L521-F541 HydrophobicContact CD1-CZ 4.1Å; L521-F541 HydrophobicContact CD2-CE1 4.03Å; L521-F541 HydrophobicContact CD2-CZ 4.07Å; L525-F541 HydrophobicContact CD1-CE2 4.18Å; L525-F541 HydrophobicContact CD1-CZ 4.4Å; L525-F541 HydrophobicContact CD2-CE2 4.25Å; F537-F541 AromaticContact CD1-CD2 3.88Å; F537-F541 HydrophobicContact CD1-CD2 3.88Å; F537-F541 AromaticContact CD1-CE2 4Å; F537-F541 HydrophobicContact CD1-CE2 4Å; F537-F541 AromaticContact CE1-CD2 3.58Å; F537-F541 HydrophobicContact CE1-CD2 3.58Å; F537-F541 AromaticContact CE1-CE2 3.24Å; F537-F541 HydrophobicContact CE1-CE2 3.24Å; F537-F541 HydrophobicContact CE1-CZ 4.4Å; F537-F541 HydrophobicContact CZ-CD2 4.29Å; F537-F541 AromaticContact CZ-CE2 3.56Å; F537-F541 HydrophobicContact CZ-CE2 3.56Å; F537-F541 PolarHBondContact O-N 2.67Å; G538-F541 PolarHBondContact O-N 2.73Å; Q539-F541 VanDerWaalsContact C-N 3.32Å; Q539-F541 PolarHBondContact O-N 2.82Å; F541-M544 PolarHBondContact O-N 3.38Å; F541-S545 WeakPolarHBondContact O-CA 3.32Å; F541-S545 WeakPolarHBondContact O-CB 3.29Å; F541-S545 PolarHBondContact O-N 2.97Å; F541-Y612 HydrophobicContact CD1-CD1 4.39Å; F541-Y612 AromaticContact CE1-CD1 3.34Å; F541-Y612 HydrophobicContact CE1-CD1 3.34Å; F541-Y612 HydrophobicContact CE1-CD2 4.49Å; F541-Y612 AromaticContact CE1-CE1 3.6Å; F541-Y612 HydrophobicContact CE1-CE1 3.6Å; F541-Y612 AromaticContact CE1-CG 3.85Å; F541-Y612 HydrophobicContact CE1-CG 3.85Å; F541-Y612 AromaticContact CZ-CD1 3.72Å; F541-Y612 HydrophobicContact CZ-CD1 3.72Å; F541-Y612 AromaticContact CZ-CE1 3.82Å; F541-Y612 HydrophobicContact CZ-CE1 3.82Å; F541-L616 HydrophobicContact CD2-CD2 4.21Å; F541-L616 HydrophobicContact CG-CD2 4.43Å; F541-A634 HydrophobicContact CB-CB 4.12Å; F541-L638 HydrophobicContact CB-CD1 4.05Å; F541-L638 HydrophobicContact CD1-CD1 3.79Å; F541-L638 HydrophobicContact CG-CD1 4.23Å
542Y93Very high89.2Confident54 Ų5439.6 Ų39.621%0.21220%0.196CC..Hα-helixtrans-58.8-51.8173.9-179.3-88.4000111.1G538 Q539 M544 S545 R637G538-Y542 WeakPolarHBondContact O-CB 3.39Å; G538-Y542 PolarHBondContact O-N 2.99Å; Q539-Y542 WeakPolarHBondContact O-CB 3.43Å; Q539-Y542 PolarHBondContact O-N 3.36Å; Q539-Y542 VanDerWaalsContact O-N 3.16Å; Y542-M544 VanDerWaalsContact C-N 3.29Å; Y542-M544 PolarHBondContact O-N 3.4Å; Y542-S545 WeakPolarHBondContact O-CB 3.47Å; Y542-S545 PolarHBondContact O-N 3.42Å; Y542-S545 PolarHBondContact O-OG 3.05Å; Y542-R637 HydrophobicContact CD2-CG 4.2Å; Y542-R637 VanDerWaalsContact CE2-CD 3.49Å; Y542-R637 HydrophobicContact CE2-CG 4Å; Y542-R637 PolarHBondContact OH-NE 3.44Å; Y542-R637 PolarHBondContact OH-NH2 3.21Å; Y542-R637 VanDerWaalsContact OH-NH2 3.17Å
543D93.1Very high90.3Very high79 Ų7937.5 Ų37.542%0.42218%0.181SC..Hα-helixtrans-62.6-36-178.6-65.1-15.1000112.3Q539Q539-D543 PolarHBondContact NE2-OD1 2.92Å; Q539-D543 WeakPolarHBondContact O-CB 3.39Å; Q539-D543 PolarHBondContact O-N 3.36Å
544M94Very high91Very high1 Ų135.1 Ų35.11%0.00517%0.172CC..Hα-helixtrans-88.1-13.7-178.4-65.9-168.969.800113.8L517 T520 L521 K524 T540 F541 Y542 Y546 Q547 L548L517-M544 HydrophobicContact CD2-CE 4.41Å; L517-M544 WeakPolarHBondContact O-CE 3.46Å; T520-M544 HydrophobicContact CG2-CE 4.04Å; T520-M544 HydrophobicContact CG2-SD 4.49Å; L521-M544 HydrophobicContact CB-CE 3.81Å; L521-M544 HydrophobicContact CB-SD 3.87Å; L521-M544 HydrophobicContact CD1-SD 3.67Å; L521-M544 HydrophobicContact CG-SD 4.38Å; K524-M544 HydrophobicContact CD-SD 4Å; T540-M544 HydrophobicContact CG2-SD 4.27Å; T540-M544 WeakPolarHBondContact O-CB 3.43Å; T540-M544 VanDerWaalsContact O-CG 3.32Å; T540-M544 WeakPolarHBondContact O-CG 3.46Å; T540-M544 PolarHBondContact O-N 3.04Å; T540-M544 VanDerWaalsContact O-N 3.1Å; F541-M544 PolarHBondContact O-N 3.38Å; Y542-M544 VanDerWaalsContact C-N 3.29Å; Y542-M544 PolarHBondContact O-N 3.4Å; M544-Y546 VanDerWaalsContact C-N 3.33Å; M544-Y546 PolarHBondContact O-N 2.75Å; M544-Q547 PolarHBondContact O-N 2.86Å; M544-Q547 VanDerWaalsContact O-N 3.14Å; M544-L548 HydrophobicContact CB-CD1 3.94Å; M544-L548 HydrophobicContact CB-CG 4.24Å; M544-L548 WeakPolarHBondContact O-CG 3.42Å; M544-L548 PolarHBondContact O-N 3.2Å
545S93.4Very high91.8Very high4 Ų434.5 Ų34.53%0.02817%0.169CC..Hα-helixtrans-52.2-46.3-171.861.10000113.4F541 Y542 S549F541-S545 WeakPolarHBondContact O-CA 3.32Å; F541-S545 WeakPolarHBondContact O-CB 3.29Å; F541-S545 PolarHBondContact O-N 2.97Å; Y542-S545 WeakPolarHBondContact O-CB 3.47Å; Y542-S545 PolarHBondContact O-N 3.42Å; Y542-S545 PolarHBondContact O-OG 3.05Å; S545-S549 WeakPolarHBondContact O-CB 3.45Å; S545-S549 PolarHBondContact O-N 3.46Å
546Y92.6Very high92.2Very high158 Ų15834.1 Ų34.162%0.6217%0.165SC*.Hα-helixtrans-64.3-48.4179.1177.8-103.5000112.4M544 L548 S549 Q550M544-Y546 VanDerWaalsContact C-N 3.33Å; M544-Y546 PolarHBondContact O-N 2.75Å; Y546-L548 PolarHBondContact O-N 3.23Å; Y546-S549 WeakPolarHBondContact O-CB 3.3Å; Y546-S549 PolarHBondContact O-N 2.96Å; Y546-Q550 HydrophobicContact CE1-CG 4.26Å; Y546-Q550 HydrophobicContact CE2-CG 4.16Å; Y546-Q550 WeakPolarHBondContact O-CG 3.42Å; Y546-Q550 PolarHBondContact O-N 3.33Å; Y546-Q550 VanDerWaalsContact O-N 3.08Å
547Q95.4Very high92.5Very high105 Ų10532.8 Ų32.849%0.49116%0.158SC..Hα-helixtrans-64.3-42.8-179.2-63.7179.95.300111.7L517 M544 A551L517-Q547 HydrophobicContact CD1-CB 4.49Å; L517-Q547 HydrophobicContact CD2-CB 3.99Å; M544-Q547 PolarHBondContact O-N 2.86Å; M544-Q547 VanDerWaalsContact O-N 3.14Å; Q547-A551 WeakPolarHBondContact O-CB 3.46Å; Q547-A551 PolarHBondContact O-N 3.11Å
548L94.6Very high92.8Very high2 Ų233 Ų331%0.0116%0.161CC..Hα-helixtrans-60.3-48.6174.7-67.5168.8000110.1L517 M544 Y546 Q550 A551 Y552 F609L517-L548 HydrophobicContact CB-CD2 4.23Å; L517-L548 HydrophobicContact CD1-CD2 4.48Å; M544-L548 HydrophobicContact CB-CD1 3.94Å; M544-L548 HydrophobicContact CB-CG 4.24Å; M544-L548 WeakPolarHBondContact O-CG 3.42Å; M544-L548 PolarHBondContact O-N 3.2Å; Y546-L548 PolarHBondContact O-N 3.23Å; L548-Q550 PolarHBondContact O-N 3.08Å; L548-A551 PolarHBondContact O-N 3.18Å; L548-Y552 HydrophobicContact CB-CD2 4.32Å; L548-Y552 HydrophobicContact CB-CE2 4.5Å; L548-Y552 HydrophobicContact CD2-CE2 4.04Å; L548-Y552 WeakPolarHBondContact O-CB 3.45Å; L548-Y552 WeakPolarHBondContact O-CD2 3.48Å; L548-Y552 PolarHBondContact O-N 3.47Å; L548-F609 HydrophobicContact CB-CD2 4.33Å; L548-F609 HydrophobicContact CB-CE2 3.81Å
549S93.8Very high93Very high4 Ų433.6 Ų33.63%0.02816%0.163CC..Hα-helixtrans-52.9-52.9178.9-173.90000112.2S545 Y546 A551 Y552 I553S545-S549 WeakPolarHBondContact O-CB 3.45Å; S545-S549 PolarHBondContact O-N 3.46Å; Y546-S549 WeakPolarHBondContact O-CB 3.3Å; Y546-S549 PolarHBondContact O-N 2.96Å; S549-A551 PolarHBondContact O-N 3.01Å; S549-Y552 PolarHBondContact O-N 3.19Å; S549-I553 WeakPolarHBondContact O-CB 3.34Å; S549-I553 VanDerWaalsContact O-CG1 3.26Å; S549-I553 WeakPolarHBondContact O-CG1 3.49Å; S549-I553 PolarHBondContact O-N 3.46Å
550Q94.2Very high92.9Very high93 Ų9333 Ų3344%0.43516%0.16SC..Hα-helixtrans-62.4-43.8-179.2-65.9-61-27.700112.2Y546 L548 I553 A554Y546-Q550 HydrophobicContact CE1-CG 4.26Å; Y546-Q550 HydrophobicContact CE2-CG 4.16Å; Y546-Q550 WeakPolarHBondContact O-CG 3.42Å; Y546-Q550 PolarHBondContact O-N 3.33Å; Y546-Q550 VanDerWaalsContact O-N 3.08Å; L548-Q550 PolarHBondContact O-N 3.08Å; Q550-I553 PolarHBondContact O-N 3.03Å; Q550-A554 WeakPolarHBondContact O-CB 3.42Å; Q550-A554 PolarHBondContact O-N 3.02Å
551A95.7Very high92.6Very high10 Ų1039.6 Ų39.68%0.08319%0.19CC..Hα-helixtrans-67.8-41.2-178.900000112.7T513 L514 L517 Q547 L548 S549 A554 Y555T513-A551 HydrophobicContact CG2-CB 3.96Å; L514-A551 HydrophobicContact CD2-CB 3.79Å; L517-A551 HydrophobicContact CD1-CB 3.33Å; Q547-A551 WeakPolarHBondContact O-CB 3.46Å; Q547-A551 PolarHBondContact O-N 3.11Å; L548-A551 PolarHBondContact O-N 3.18Å; S549-A551 PolarHBondContact O-N 3.01Å; A551-A554 PolarHBondContact O-N 2.73Å; A551-Y555 WeakPolarHBondContact O-CB 3.43Å; A551-Y555 PolarHBondContact O-N 3.27Å
552Y96.2Very high92.4Very high3 Ų339.8 Ų39.81%0.01219%0.192CC..Hα-helixtrans-71-35.1177.4-82.1-76000112.6Y484 L514 L548 S549 Y555 C556 P605 F609Y484-Y552 WeakPolarHBondContact CE1-OH 3.14Å; Y484-Y552 PolarHBondContact OH-OH 3.4Å; L514-Y552 HydrophobicContact CD1-CD1 4.23Å; L514-Y552 HydrophobicContact CD1-CE1 4Å; L514-Y552 HydrophobicContact CD2-CD1 3.98Å; L514-Y552 HydrophobicContact CD2-CD2 4.01Å; L514-Y552 HydrophobicContact CD2-CE1 3.95Å; L514-Y552 HydrophobicContact CD2-CE2 3.99Å; L514-Y552 HydrophobicContact CD2-CG 4.01Å; L548-Y552 HydrophobicContact CB-CD2 4.32Å; L548-Y552 HydrophobicContact CB-CE2 4.5Å; L548-Y552 HydrophobicContact CD2-CE2 4.04Å; L548-Y552 WeakPolarHBondContact O-CB 3.45Å; L548-Y552 WeakPolarHBondContact O-CD2 3.48Å; L548-Y552 PolarHBondContact O-N 3.47Å; S549-Y552 PolarHBondContact O-N 3.19Å; Y552-Y555 PolarHBondContact O-N 3.07Å; Y552-C556 VanDerWaalsContact O-CB 3.28Å; Y552-C556 WeakPolarHBondContact O-CB 3.49Å; Y552-C556 PolarHBondContact O-N 3.48Å; Y552-P605 HydrophobicContact CE1-CB 4.02Å; Y552-P605 WeakPolarHBondContact CE1-O 3.39Å; Y552-F609 HydrophobicContact CD1-CB 3.72Å; Y552-F609 HydrophobicContact CD1-CG 4.27Å; Y552-F609 HydrophobicContact CD2-CB 3.82Å; Y552-F609 AromaticContact CD2-CD2 3.25Å; Y552-F609 HydrophobicContact CD2-CD2 3.25Å; Y552-F609 AromaticContact CD2-CE2 3.96Å; Y552-F609 HydrophobicContact CD2-CE2 3.96Å; Y552-F609 AromaticContact CD2-CG 3.65Å; Y552-F609 HydrophobicContact CD2-CG 3.65Å; Y552-F609 HydrophobicContact CE1-CB 3.85Å; Y552-F609 HydrophobicContact CE2-CB 3.94Å; Y552-F609 AromaticContact CE2-CD2 3.62Å; Y552-F609 HydrophobicContact CE2-CD2 3.62Å; Y552-F609 HydrophobicContact CE2-CG 4.11Å; Y552-F609 HydrophobicContact CG-CB 3.71Å; Y552-F609 HydrophobicContact CG-CD1 4.44Å; Y552-F609 AromaticContact CG-CD2 3.85Å; Y552-F609 HydrophobicContact CG-CD2 3.85Å; Y552-F609 AromaticContact CG-CG 3.74Å; Y552-F609 HydrophobicContact CG-CG 3.74Å
553I91.3Very high92.3Very high27 Ų2738 Ų3814%0.13819%0.186CC..Hα-helixtrans-60.9-48.8170.3-73.6168.3000110.2S549 Q550 Y555 C556 N557 L644 L645 N648S549-I553 WeakPolarHBondContact O-CB 3.34Å; S549-I553 VanDerWaalsContact O-CG1 3.26Å; S549-I553 WeakPolarHBondContact O-CG1 3.49Å; S549-I553 PolarHBondContact O-N 3.46Å; Q550-I553 PolarHBondContact O-N 3.03Å; I553-Y555 VanDerWaalsContact C-N 3.33Å; I553-Y555 PolarHBondContact O-N 3Å; I553-C556 WeakPolarHBondContact O-CB 3.48Å; I553-C556 PolarHBondContact O-N 3.38Å; I553-N557 PolarHBondContact O-N 3.17Å; I553-N557 PolarHBondContact O-ND2 3.07Å; I553-L644 HydrophobicContact CD1-CB 4.35Å; I553-L645 HydrophobicContact CB-CD1 4.37Å; I553-L645 HydrophobicContact CG1-CB 4.34Å; I553-L645 HydrophobicContact CG1-CD1 3.72Å; I553-N648 HydrophobicContact CG2-CB 4.25Å
554A91.7Very high91.9Very high25 Ų2536.8 Ų36.821%0.20718%0.183CC..Hα-helixtrans-62.8-39178.700000112.6Q550 A551 A558Q550-A554 WeakPolarHBondContact O-CB 3.42Å; Q550-A554 PolarHBondContact O-N 3.02Å; A551-A554 PolarHBondContact O-N 2.73Å; A554-A558 PolarHBondContact O-N 3.46Å; A554-A558 VanDerWaalsContact O-N 3.13Å
555Y95.8Very high91.6Very high0 Ų041.1 Ų41.10%020%0.199CC..Hα-helixtrans-64.6-45.7173.6176.4-99.6000112.2L507 R510 L511 L514 A551 Y552 I553 N557 A558 Q559 L602 P605 I606L507-Y555 HydrophobicContact CD1-CD2 4.21Å; L507-Y555 HydrophobicContact CD1-CE2 3.68Å; R510-Y555 HydrophobicContact CB-CD2 4.22Å; L511-Y555 HydrophobicContact CD2-CD2 4.11Å; L511-Y555 HydrophobicContact CD2-CE2 3.42Å; L511-Y555 VanDerWaalsContact CD2-CE2 3.42Å; L511-Y555 HydrophobicContact CG-CD2 4.28Å; L511-Y555 HydrophobicContact CG-CE2 3.75Å; L514-Y555 HydrophobicContact CD1-CD1 4.04Å; L514-Y555 HydrophobicContact CD1-CD2 3.74Å; L514-Y555 HydrophobicContact CD1-CE2 4.37Å; L514-Y555 HydrophobicContact CD1-CG 3.54Å; A551-Y555 WeakPolarHBondContact O-CB 3.43Å; A551-Y555 PolarHBondContact O-N 3.27Å; Y552-Y555 PolarHBondContact O-N 3.07Å; I553-Y555 VanDerWaalsContact C-N 3.33Å; I553-Y555 PolarHBondContact O-N 3Å; Y555-N557 VanDerWaalsContact C-N 3.29Å; Y555-N557 PolarHBondContact O-N 3.34Å; Y555-A558 PolarHBondContact O-N 2.87Å; Y555-Q559 HydrophobicContact CE1-CB 4.28Å; Y555-Q559 VanDerWaalsContact O-CB 3.31Å; Y555-Q559 WeakPolarHBondContact O-CB 3.47Å; Y555-Q559 PolarHBondContact O-N 3.39Å; Y555-L602 WeakPolarHBondContact CE1-O 3.5Å; Y555-L602 PolarHBondContact OH-O 3.5Å; Y555-P605 HydrophobicContact CD1-CB 4.11Å; Y555-P605 HydrophobicContact CE1-CB 3.65Å; Y555-P605 HydrophobicContact CE1-CG 3.79Å; Y555-I606 HydrophobicContact CD1-CD1 4.49Å; Y555-I606 HydrophobicContact CD1-CG1 4.05Å; Y555-I606 HydrophobicContact CE1-CD1 4.49Å; Y555-I606 HydrophobicContact CE1-CG1 4.2Å
556C93.1Very high91.3Very high5 Ų541.1 Ų41.13%0.03420%0.199CC..Hα-helixtrans-55.9-46177.6179.90000111Y552 I553 Q559 E560 I606 L645Y552-C556 VanDerWaalsContact O-CB 3.28Å; Y552-C556 WeakPolarHBondContact O-CB 3.49Å; Y552-C556 PolarHBondContact O-N 3.48Å; I553-C556 WeakPolarHBondContact O-CB 3.48Å; I553-C556 PolarHBondContact O-N 3.38Å; C556-Q559 PolarHBondContact O-N 3.09Å; C556-E560 WeakPolarHBondContact O-CG 3.46Å; C556-E560 PolarHBondContact O-N 3.49Å; C556-I606 HydrophobicContact CB-CD1 3.9Å; C556-I606 HydrophobicContact CB-CG1 4.29Å; C556-L645 HydrophobicContact CB-CD1 3.86Å
557N89.2Confident91Very high53 Ų5336.6 Ų36.628%0.28319%0.185SC..Hα-helixtrans-62-46.2177.1-68.7-20.4000112.4I553 Y555 Q559 E560 E561 N648I553-N557 PolarHBondContact O-N 3.17Å; I553-N557 PolarHBondContact O-ND2 3.07Å; Y555-N557 VanDerWaalsContact C-N 3.29Å; Y555-N557 PolarHBondContact O-N 3.34Å; N557-Q559 VanDerWaalsContact C-N 3.34Å; N557-Q559 PolarHBondContact O-N 2.84Å; N557-E560 PolarHBondContact O-N 3.37Å; N557-E561 PolarHBondContact O-N 3.38Å; N557-E561 VanDerWaalsContact O-N 3.17Å; N557-N648 PolarHBondContact ND2-OD1 3.01Å; N557-N648 PolarHBondContact OD1-ND2 3.47Å
558A90Very high90.4Very high6 Ų638.1 Ų38.15%0.0519%0.192CC..Hα-helixtrans-64.4-38.3177.700000112.7Q506 L507 R510 A554 Y555 C562Q506-A558 HydrophobicContact CG-CB 4.29Å; L507-A558 HydrophobicContact CD1-CB 4.36Å; R510-A558 HydrophobicContact CB-CB 4.41Å; R510-A558 HydrophobicContact CG-CB 3.78Å; A554-A558 PolarHBondContact O-N 3.46Å; A554-A558 VanDerWaalsContact O-N 3.13Å; Y555-A558 PolarHBondContact O-N 2.87Å; A558-C562 VanDerWaalsContact O-CB 3.23Å; A558-C562 WeakPolarHBondContact O-CB 3.41Å; A558-C562 PolarHBondContact O-N 3.43Å
559Q92.1Very high89.7Confident12 Ų1238.4 Ų38.46%0.05620%0.195CC..Hα-helixtrans-65.1-42.4176.9-179.3-86.6-74.100111.3Y555 C556 N557 E561 C562 L563 L602Y555-Q559 HydrophobicContact CE1-CB 4.28Å; Y555-Q559 VanDerWaalsContact O-CB 3.31Å; Y555-Q559 WeakPolarHBondContact O-CB 3.47Å; Y555-Q559 PolarHBondContact O-N 3.39Å; C556-Q559 PolarHBondContact O-N 3.09Å; N557-Q559 VanDerWaalsContact C-N 3.34Å; N557-Q559 PolarHBondContact O-N 2.84Å; Q559-E561 VanDerWaalsContact C-N 3.34Å; Q559-C562 PolarHBondContact O-N 2.8Å; Q559-L563 VanDerWaalsContact NE2-CD2 3.31Å; Q559-L563 WeakPolarHBondContact O-CB 3.22Å; Q559-L563 PolarHBondContact O-N 3.3Å; Q559-L602 HydrophobicContact CG-CB 3.86Å
560E87.4Confident88.9Confident42 Ų4241.3 Ų41.320%0.19621%0.209CC..Hα-helixtrans-67.5-32179.6-77.6-165.4173.200114.4C556 N557 P564 K649 S652C556-E560 WeakPolarHBondContact O-CG 3.46Å; C556-E560 PolarHBondContact O-N 3.49Å; N557-E560 PolarHBondContact O-N 3.37Å; E560-P564 WeakPolarHBondContact O-CD 3.47Å; E560-P564 VanDerWaalsContact O-CG 3.26Å; E560-P564 WeakPolarHBondContact O-CG 3.37Å; E560-K649 WeakPolarHBondContact OE1-CD 3.49Å; E560-K649 WeakPolarHBondContact OE1-CE 3.45Å; E560-K649 IonicContact OE1-NZ 2.84Å; E560-K649 PolarHBondContact OE1-NZ 3.05Å; E560-K649 IonicContact OE2-NZ 2.62Å; E560-S652 VanDerWaalsContact OE2-CB 3.27Å; E560-S652 WeakPolarHBondContact OE2-CB 3.46Å
561E85.2Confident88.1Confident146 Ų14643.6 Ų43.668%0.68222%0.223SC*.Hα-helixtrans-73.6-45.2174-173.5-179.2175.200110.9N557 Q559N557-E561 PolarHBondContact O-N 3.38Å; N557-E561 VanDerWaalsContact O-N 3.17Å; Q559-E561 VanDerWaalsContact C-N 3.34Å
562C89Confident87.1Confident7 Ų744.9 Ų44.95%0.04723%0.231CC..Hα-helixtrans-75.1-44.6-173-171.70000113.2L504 A558 Q559 R565 L566L504-C562 WeakPolarHBondContact CD2-SG 3.27Å; A558-C562 VanDerWaalsContact O-CB 3.23Å; A558-C562 WeakPolarHBondContact O-CB 3.41Å; A558-C562 PolarHBondContact O-N 3.43Å; Q559-C562 PolarHBondContact O-N 2.8Å; C562-R565 WeakPolarHBondContact O-CB 3.35Å; C562-R565 PolarHBondContact O-N 3.38Å; C562-L566 WeakPolarHBondContact O-CG 3.48Å; C562-L566 PolarHBondContact O-N 3.22Å; C562-L566 VanDerWaalsContact O-N 3.09Å; C562-L566 VanDerWaalsContact SG-CD1 3.6Å
563L89.8Confident85.5Confident15 Ų1551.9 Ų51.98%0.07927%0.268CS..Hα-helixtrans-60.9-49-170.1176.269.2000113.4Q559 R565 L566 L567 L598 T599 L602Q559-L563 VanDerWaalsContact NE2-CD2 3.31Å; Q559-L563 WeakPolarHBondContact O-CB 3.22Å; Q559-L563 PolarHBondContact O-N 3.3Å; L563-R565 VanDerWaalsContact C-N 3.27Å; L563-R565 PolarHBondContact O-N 2.95Å; L563-L566 PolarHBondContact O-N 3.28Å; L563-L567 HydrophobicContact CD1-CD1 4.07Å; L563-L567 HydrophobicContact CD1-CG 4.07Å; L563-L567 HydrophobicContact CG-CD1 4Å; L563-L567 HydrophobicContact CG-CG 4.38Å; L563-L567 WeakPolarHBondContact O-CG 2.97Å; L563-L567 PolarHBondContact O-N 2.98Å; L563-L598 HydrophobicContact CD1-CD2 4.13Å; L563-L598 HydrophobicContact CD1-CG 4Å; L563-T599 HydrophobicContact CD2-CG2 3.88Å; L563-L602 HydrophobicContact CD1-CD1 4.23Å
564P85.9Confident84.2Confident55 Ų5560.4 Ų60.436%0.35730%0.303SS..Hα-helixtrans-60.6-36.7178.3-22.834.6000112.7E560 L567 Q568E560-P564 WeakPolarHBondContact O-CD 3.47Å; E560-P564 VanDerWaalsContact O-CG 3.26Å; E560-P564 WeakPolarHBondContact O-CG 3.37Å; P564-L567 PolarHBondContact O-N 2.63Å; P564-Q568 VanDerWaalsContact O-CB 3.25Å; P564-Q568 WeakPolarHBondContact O-CB 3.22Å; P564-Q568 PolarHBondContact O-N 3.46Å
565R86.7Confident83Confident92 Ų9266.7 Ų66.735%0.34732%0.322SS..Hα-helixtrans-63.3-43.5177.3-177.6173.563.298.15.1111.5L502 D503 C562 L563 A569L502-R565 VanDerWaalsContact O-CZ 3.24Å; L502-R565 PolarHBondContact O-NH1 3.43Å; L502-R565 PolarHBondContact O-NH2 2.96Å; D503-R565 PolarHBondContact O-NH2 3.33Å; C562-R565 WeakPolarHBondContact O-CB 3.35Å; C562-R565 PolarHBondContact O-N 3.38Å; L563-R565 VanDerWaalsContact C-N 3.27Å; L563-R565 PolarHBondContact O-N 2.95Å; R565-A569 PolarHBondContact O-N 3.37Å
566L87.3Confident82.1Confident3 Ų372.9 Ų72.92%0.01635%0.353CS..Hα-helixtrans-66-45.1176.3-63.5177.6000111.7L502 L504 C562 L563 Q568 A569 I570 V582 L585 L598L502-L566 HydrophobicContact CB-CD2 4.11Å; L502-L566 HydrophobicContact CD1-CD2 4.16Å; L502-L566 HydrophobicContact CD2-CD2 4.17Å; L502-L566 HydrophobicContact CG-CD2 4.38Å; L504-L566 HydrophobicContact CD2-CD1 4.14Å; L504-L566 HydrophobicContact CD2-CD2 4.33Å; C562-L566 WeakPolarHBondContact O-CG 3.48Å; C562-L566 PolarHBondContact O-N 3.22Å; C562-L566 VanDerWaalsContact O-N 3.09Å; C562-L566 VanDerWaalsContact SG-CD1 3.6Å; L563-L566 PolarHBondContact O-N 3.28Å; L566-Q568 PolarHBondContact O-N 3.36Å; L566-A569 WeakPolarHBondContact O-CB 3.26Å; L566-A569 PolarHBondContact O-N 2.75Å; L566-I570 PolarHBondContact O-N 3.13Å; L566-V582 HydrophobicContact CD2-CG2 4.05Å; L566-L585 HydrophobicContact CD1-CD2 4.49Å; L566-L598 HydrophobicContact CB-CD2 3.93Å; L566-L598 HydrophobicContact CD1-CD2 3.82Å
567L86.8Confident81.4Confident63 Ų6377.8 Ų77.833%0.3339%0.387SS..Hα-helixtrans-64.4-39.9178-67.1177.2000112.2L563 P564 A569 I570 I571L563-L567 HydrophobicContact CD1-CD1 4.07Å; L563-L567 HydrophobicContact CD1-CG 4.07Å; L563-L567 HydrophobicContact CG-CD1 4Å; L563-L567 HydrophobicContact CG-CG 4.38Å; L563-L567 WeakPolarHBondContact O-CG 2.97Å; L563-L567 PolarHBondContact O-N 2.98Å; P564-L567 PolarHBondContact O-N 2.63Å; L567-A569 VanDerWaalsContact C-N 3.3Å; L567-A569 PolarHBondContact O-N 3.2Å; L567-I570 PolarHBondContact O-N 2.83Å; L567-I571 PolarHBondContact O-N 3.09Å
568Q83.1Confident81.1Confident137 Ų13777.3 Ų77.364%0.6439%0.386SS*.Hα-helixtrans-65.1-35.2175.7-173.4176.99.300111.8P564 L566 I570 I571 S572P564-Q568 VanDerWaalsContact O-CB 3.25Å; P564-Q568 WeakPolarHBondContact O-CB 3.22Å; P564-Q568 PolarHBondContact O-N 3.46Å; L566-Q568 PolarHBondContact O-N 3.36Å; Q568-I570 VanDerWaalsContact C-N 3.34Å; Q568-I570 PolarHBondContact O-N 2.87Å; Q568-I571 PolarHBondContact O-N 3.46Å; Q568-S572 WeakPolarHBondContact O-CB 3.23Å; Q568-S572 PolarHBondContact O-N 3.2Å
569A79.7Confident80.8Confident8 Ų877.8 Ų77.87%0.06639%0.389CS..Hα-helixtrans-63-38.9177.600000112.5R565 L566 L567 I571 S572 V578 V582R565-A569 PolarHBondContact O-N 3.37Å; L566-A569 WeakPolarHBondContact O-CB 3.26Å; L566-A569 PolarHBondContact O-N 2.75Å; L567-A569 VanDerWaalsContact C-N 3.3Å; L567-A569 PolarHBondContact O-N 3.2Å; A569-I571 VanDerWaalsContact C-N 3.35Å; A569-S572 PolarHBondContact O-N 2.72Å; A569-S572 PolarHBondContact O-OG 2.73Å; A569-V578 HydrophobicContact CB-CB 4.42Å; A569-V578 HydrophobicContact CB-CG1 3.7Å; A569-V582 HydrophobicContact CB-CG2 4.41Å
570I77.2Confident80.5Confident65 Ų6579.7 Ų79.733%0.33341%0.408SS..Hα-helixtrans-62.6-41.5175.5-60.8172000111.1L566 L567 Q568 V582 L586L566-I570 PolarHBondContact O-N 3.13Å; L567-I570 PolarHBondContact O-N 2.83Å; Q568-I570 VanDerWaalsContact C-N 3.34Å; Q568-I570 PolarHBondContact O-N 2.87Å; I570-V582 HydrophobicContact CD1-CB 4.46Å; I570-V582 HydrophobicContact CD1-CG1 3.56Å; I570-V582 HydrophobicContact CG1-CB 3.99Å; I570-V582 HydrophobicContact CG1-CG1 3.61Å; I570-L586 HydrophobicContact CD1-CD1 4.44Å
571I77.6Confident80.5Confident141 Ų14178 Ų7872%0.72340%0.401SS*.Hα-helixtrans-77.8-26.9-176.6-60.2167.8000111.3L567 Q568 A569 I573L567-I571 PolarHBondContact O-N 3.09Å; Q568-I571 PolarHBondContact O-N 3.46Å; A569-I571 VanDerWaalsContact C-N 3.35Å; I571-I573 PolarHBondContact O-N 3.1Å
572S73.3Confident80.6Confident37 Ų3771 Ų7126%0.25937%0.368SS..  trans-79.9117.1-173.786.90000112.7Q568 A569 K574 R575Q568-S572 WeakPolarHBondContact O-CB 3.23Å; Q568-S572 PolarHBondContact O-N 3.2Å; A569-S572 PolarHBondContact O-N 2.72Å; A569-S572 PolarHBondContact O-OG 2.73Å; S572-K574 PolarHBondContact O-N 3.46Å; S572-R575 PolarHBondContact O-N 3.31Å
573I64Low80.6Confident151 Ų15176.5 Ų76.577%0.77439%0.393SS*.G310 helixtrans-63-26.2174.7-63.8163.7000111.8I571 R575I571-I573 PolarHBondContact O-N 3.1Å; I573-R575 VanDerWaalsContact C-N 3.26Å; I573-R575 PolarHBondContact O-N 3.45Å
574K62.5Low80.6Confident205 Ų20577.7 Ų77.789%0.89141%0.405SS*.G310 helixtrans-71.2-13.5-173.6-67-172.2178-177.10114.5S572S572-K574 PolarHBondContact O-N 3.46Å
575R68.5Low80.8Confident158 Ų15875.1 Ų75.160%0.59639%0.388SS*.G310 helixtrans-130.256.2-173.6-66.7-174174.6172.9-1.6112.5S572 I573 C577 V578 A579S572-R575 PolarHBondContact O-N 3.31Å; I573-R575 VanDerWaalsContact C-N 3.26Å; I573-R575 PolarHBondContact O-N 3.45Å; R575-C577 VanDerWaalsContact C-N 3.27Å; R575-C577 PolarHBondContact O-N 3.33Å; R575-V578 HydrophobicContact CB-CB 4.07Å; R575-V578 HydrophobicContact CB-CG2 4.04Å; R575-V578 PolarHBondContact O-N 3.37Å; R575-A579 PolarHBondContact O-N 2.83Å
576I75.4Confident80.9Confident129 Ų12971.8 Ų71.866%0.66238%0.377SS*.Hα-helixtrans-49.4-43.8-179.9-77.7148.6000113.1V578 A579 A580I576-V578 VanDerWaalsContact C-N 3.33Å; I576-V578 PolarHBondContact O-N 3.03Å; I576-A579 PolarHBondContact O-N 2.89Å; I576-A580 WeakPolarHBondContact O-CB 3.47Å; I576-A580 PolarHBondContact O-N 3.35Å
577C79.2Confident81.1Confident109 Ų10975 Ų7574%0.73640%0.4SS*.Hα-helixtrans-63.8-37.2178.9-57.90000112.9R575 A581R575-C577 VanDerWaalsContact C-N 3.27Å; R575-C577 PolarHBondContact O-N 3.33Å; C577-A581 PolarHBondContact O-N 2.84Å; C577-A581 VanDerWaalsContact O-N 3.14Å
578V82.3Confident81.2Confident43 Ų4374.5 Ų74.526%0.26140%0.397SS..Hα-helixtrans-73.8-40.9178.4-173.40000110.2L502 A569 R575 I576 A580 A581 V582L502-V578 HydrophobicContact CD2-CG1 3.82Å; A569-V578 HydrophobicContact CB-CB 4.42Å; A569-V578 HydrophobicContact CB-CG1 3.7Å; R575-V578 HydrophobicContact CB-CB 4.07Å; R575-V578 HydrophobicContact CB-CG2 4.04Å; R575-V578 PolarHBondContact O-N 3.37Å; I576-V578 VanDerWaalsContact C-N 3.33Å; I576-V578 PolarHBondContact O-N 3.03Å; V578-A580 VanDerWaalsContact C-N 3.33Å; V578-A580 PolarHBondContact O-N 3.25Å; V578-A581 WeakPolarHBondContact O-CB 3.23Å; V578-A581 PolarHBondContact O-N 3.07Å; V578-A581 VanDerWaalsContact O-N 3.17Å; V578-V582 WeakPolarHBondContact O-CG2 3.43Å; V578-V582 PolarHBondContact O-N 3.32Å
579A84.2Confident81.5Confident15 Ų1568 Ų6812%0.12437%0.367CS..Hα-helixtrans-58.3-45.817500000111.5R575 I576 A581 V582 E583R575-A579 PolarHBondContact O-N 2.83Å; I576-A579 PolarHBondContact O-N 2.89Å; A579-A581 VanDerWaalsContact C-N 3.32Å; A579-A581 PolarHBondContact O-N 3.49Å; A579-V582 PolarHBondContact O-N 2.64Å; A579-V582 VanDerWaalsContact O-N 3.15Å; A579-E583 PolarHBondContact O-N 2.89Å
580A85.9Confident82Confident53 Ų5374.6 Ų74.644%0.43839%0.39SS..Hα-helixtrans-60.6-39175.300000112.6I576 V578 E583 A584I576-A580 WeakPolarHBondContact O-CB 3.47Å; I576-A580 PolarHBondContact O-N 3.35Å; V578-A580 VanDerWaalsContact C-N 3.33Å; V578-A580 PolarHBondContact O-N 3.25Å; A580-E583 PolarHBondContact O-N 3.34Å; A580-A584 WeakPolarHBondContact O-CB 3.27Å; A580-A584 PolarHBondContact O-N 2.85Å
581A87.1Confident82.5Confident6 Ų675.8 Ų75.85%0.0540%0.404CS..Hα-helixtrans-65.3-37.6174.700000112.5Q501 L502 C577 V578 A579 A584 L585Q501-A581 HydrophobicContact CB-CB 3.98Å; Q501-A581 VanDerWaalsContact OE1-CB 3.29Å; L502-A581 HydrophobicContact CD2-CB 3.74Å; L502-A581 HydrophobicContact CG-CB 4.1Å; C577-A581 PolarHBondContact O-N 2.84Å; C577-A581 VanDerWaalsContact O-N 3.14Å; V578-A581 WeakPolarHBondContact O-CB 3.23Å; V578-A581 PolarHBondContact O-N 3.07Å; V578-A581 VanDerWaalsContact O-N 3.17Å; A579-A581 VanDerWaalsContact C-N 3.32Å; A579-A581 PolarHBondContact O-N 3.49Å; A581-A584 PolarHBondContact O-N 2.85Å; A581-L585 WeakPolarHBondContact O-CB 3.28Å; A581-L585 PolarHBondContact O-N 3.19Å
582V88.1Confident82.8Confident0 Ų071.7 Ų71.70%039%0.388CS..Hα-helixtrans-68.4-37.8174.7-177.90000111.7L502 L566 A569 I570 V578 A579 A584 L585 L586 L598L502-V582 HydrophobicContact CD1-CG2 4.13Å; L502-V582 HydrophobicContact CD2-CG2 3.55Å; L566-V582 HydrophobicContact CD2-CG2 4.05Å; A569-V582 HydrophobicContact CB-CG2 4.41Å; I570-V582 HydrophobicContact CD1-CB 4.46Å; I570-V582 HydrophobicContact CD1-CG1 3.56Å; I570-V582 HydrophobicContact CG1-CB 3.99Å; I570-V582 HydrophobicContact CG1-CG1 3.61Å; V578-V582 WeakPolarHBondContact O-CG2 3.43Å; V578-V582 PolarHBondContact O-N 3.32Å; A579-V582 PolarHBondContact O-N 2.64Å; A579-V582 VanDerWaalsContact O-N 3.15Å; V582-A584 VanDerWaalsContact C-N 3.35Å; V582-L585 WeakPolarHBondContact O-CB 3.44Å; V582-L585 PolarHBondContact O-N 3Å; V582-L586 PolarHBondContact O-N 3.38Å; V582-L598 HydrophobicContact CG1-CD2 4.5Å
583E87.9Confident83.1Confident122 Ų12271 Ų7157%0.5738%0.383SS*.Hα-helixtrans-64.7-39.5173.8-72.5179.5176.300111.9A579 A580 L586 S587A579-E583 PolarHBondContact O-N 2.89Å; A580-E583 PolarHBondContact O-N 3.34Å; E583-L586 PolarHBondContact O-N 3.16Å; E583-S587 WeakPolarHBondContact O-CB 3.41Å; E583-S587 PolarHBondContact O-N 2.9Å
584A89.8Confident83.8Confident39 Ų3970.3 Ų70.332%0.32238%0.377SS..Hα-helixtrans-63.2-45.6173.100000111.6A580 A581 V582 L586 S587 D588A580-A584 WeakPolarHBondContact O-CB 3.27Å; A580-A584 PolarHBondContact O-N 2.85Å; A581-A584 PolarHBondContact O-N 2.85Å; V582-A584 VanDerWaalsContact C-N 3.35Å; A584-L586 VanDerWaalsContact C-N 3.33Å; A584-L586 PolarHBondContact O-N 2.93Å; A584-S587 WeakPolarHBondContact O-CB 3.44Å; A584-S587 PolarHBondContact O-N 3.13Å; A584-S587 VanDerWaalsContact O-N 3.13Å; A584-D588 PolarHBondContact O-N 3.21Å
585L91Very high84.6Confident2 Ų261.1 Ų61.11%0.0134%0.338CS..Hα-helixtrans-55-47.5172.817469.4000111.5V494 H498 L502 L504 L566 A581 V582 S587 D588 L589 L598V494-L585 HydrophobicContact CG1-CD1 3.71Å; H498-L585 HydrophobicContact CB-CB 4.49Å; H498-L585 HydrophobicContact CB-CD1 4.23Å; L502-L585 HydrophobicContact CD1-CB 4.04Å; L502-L585 HydrophobicContact CD1-CD2 3.77Å; L502-L585 HydrophobicContact CD1-CG 4.46Å; L504-L585 HydrophobicContact CD1-CD2 4.43Å; L566-L585 HydrophobicContact CD1-CD2 4.49Å; A581-L585 WeakPolarHBondContact O-CB 3.28Å; A581-L585 PolarHBondContact O-N 3.19Å; V582-L585 WeakPolarHBondContact O-CB 3.44Å; V582-L585 PolarHBondContact O-N 3Å; L585-S587 VanDerWaalsContact C-N 3.32Å; L585-S587 PolarHBondContact O-N 3.05Å; L585-D588 PolarHBondContact O-N 2.77Å; L585-L589 HydrophobicContact CD1-CD1 4.27Å; L585-L589 HydrophobicContact CD1-CG 4.28Å; L585-L589 HydrophobicContact CG-CD1 4.07Å; L585-L589 HydrophobicContact CG-CG 4.45Å; L585-L589 WeakPolarHBondContact O-CB 3.35Å; L585-L589 VanDerWaalsContact O-CG 3.28Å; L585-L589 WeakPolarHBondContact O-CG 3.28Å; L585-L589 PolarHBondContact O-N 2.83Å; L585-L598 HydrophobicContact CD2-CD1 4.26Å
586L88.8Confident85.2Confident22 Ų2261.3 Ų61.312%0.11534%0.344CS..Hα-helixtrans-62.3-38.2177.4-83.4172.4000112.7I570 V582 E583 A584 R590 L598I570-L586 HydrophobicContact CD1-CD1 4.44Å; V582-L586 PolarHBondContact O-N 3.38Å; E583-L586 PolarHBondContact O-N 3.16Å; A584-L586 VanDerWaalsContact C-N 3.33Å; A584-L586 PolarHBondContact O-N 2.93Å; L586-R590 WeakPolarHBondContact O-CB 3.26Å; L586-R590 WeakPolarHBondContact O-CD 3.36Å; L586-R590 VanDerWaalsContact O-CG 3.25Å; L586-R590 WeakPolarHBondContact O-CG 3.39Å; L586-R590 PolarHBondContact O-N 3.33Å; L586-L598 HydrophobicContact CD2-CB 3.79Å
587S89.8Confident85.7Confident71 Ų7158.5 Ų58.550%0.49733%0.33SS..Hα-helixtrans-64-45.5175.8-173.20000111.4E583 A584 L585 R590 S591E583-S587 WeakPolarHBondContact O-CB 3.41Å; E583-S587 PolarHBondContact O-N 2.9Å; A584-S587 WeakPolarHBondContact O-CB 3.44Å; A584-S587 PolarHBondContact O-N 3.13Å; A584-S587 VanDerWaalsContact O-N 3.13Å; L585-S587 VanDerWaalsContact C-N 3.32Å; L585-S587 PolarHBondContact O-N 3.05Å; S587-R590 PolarHBondContact O-N 3.13Å; S587-S591 PolarHBondContact O-N 3.48Å; S587-S591 VanDerWaalsContact O-N 3.15Å
588D90.9Very high86.1Confident51 Ų5153.7 Ų53.727%0.27330%0.297SS..Hα-helixtrans-70.6-33.2179-69-19.1000112.6V494 H498 A584 L585 S591 S592V494-D588 HydrophobicContact CG1-CB 3.73Å; V494-D588 HydrophobicContact CG2-CB 4.49Å; H498-D588 IonicContact CD2-OD2 3.7Å; H498-D588 IonicContact CE1-OD2 3.07Å; H498-D588 IonicContact NE2-OD2 3.33Å; H498-D588 PolarHBondContact NE2-OD2 2.95Å; A584-D588 PolarHBondContact O-N 3.21Å; L585-D588 PolarHBondContact O-N 2.77Å; D588-S591 PolarHBondContact O-N 3.46Å; D588-S591 PolarHBondContact O-OG 3.29Å; D588-S592 WeakPolarHBondContact O-CB 3.49Å; D588-S592 PolarHBondContact O-N 3.47Å; D588-S592 VanDerWaalsContact O-N 3.08Å; D588-S592 PolarHBondContact O-OG 3.48Å
589L89.2Confident86.4Confident1 Ų154.2 Ų54.21%0.00530%0.3CS..Hα-helixtrans-65.3-43.4171.9-75.2174.7000110.8L491 V494 L585 S591 S592 C593 C595 L598L491-L589 HydrophobicContact CD1-CD2 3.57Å; V494-L589 HydrophobicContact CB-CD2 3.83Å; V494-L589 HydrophobicContact CB-CG 4.47Å; V494-L589 HydrophobicContact CG1-CB 4.47Å; V494-L589 HydrophobicContact CG1-CD2 3.54Å; V494-L589 HydrophobicContact CG1-CG 3.64Å; V494-L589 HydrophobicContact CG2-CD2 4.37Å; L585-L589 HydrophobicContact CD1-CD1 4.27Å; L585-L589 HydrophobicContact CD1-CG 4.28Å; L585-L589 HydrophobicContact CG-CD1 4.07Å; L585-L589 HydrophobicContact CG-CG 4.45Å; L585-L589 WeakPolarHBondContact O-CB 3.35Å; L585-L589 VanDerWaalsContact O-CG 3.28Å; L585-L589 WeakPolarHBondContact O-CG 3.28Å; L585-L589 PolarHBondContact O-N 2.83Å; L589-S591 VanDerWaalsContact C-N 3.26Å; L589-S591 PolarHBondContact O-N 3.04Å; L589-S592 PolarHBondContact O-N 3.25Å; L589-C593 CarbonylContact O-C 3.42Å; L589-C593 PolarHBondContact O-N 3.45Å; L589-C593 PolarHBondContact O-SG 2.83Å; L589-C595 HydrophobicContact CB-CB 3.92Å; L589-L598 HydrophobicContact CD1-CD1 3.73Å
590R88.6Confident86.7Confident146 Ų14656.1 Ų56.155%0.55131%0.31SS*.Hα-helixtrans-64-28.9177.8-79.1167.9-179.3155.42.8113.5L586 S587 C595 F596L586-R590 WeakPolarHBondContact O-CB 3.26Å; L586-R590 WeakPolarHBondContact O-CD 3.36Å; L586-R590 VanDerWaalsContact O-CG 3.25Å; L586-R590 WeakPolarHBondContact O-CG 3.39Å; L586-R590 PolarHBondContact O-N 3.33Å; S587-R590 PolarHBondContact O-N 3.13Å; R590-C595 HydrophobicContact CG-CB 4.31Å; R590-C595 VanDerWaalsContact CG-O 3.26Å; R590-C595 WeakPolarHBondContact CG-O 3.41Å; R590-F596 PolarHBondContact NH2-O 2.95Å
591S88.1Confident86.9Confident91 Ų9153.9 Ų53.964%0.63629%0.291SS*.Hα-helixtrans-83.5-30177.4670000113.1S587 D588 L589S587-S591 PolarHBondContact O-N 3.48Å; S587-S591 VanDerWaalsContact O-N 3.15Å; D588-S591 PolarHBondContact O-N 3.46Å; D588-S591 PolarHBondContact O-OG 3.29Å; L589-S591 VanDerWaalsContact C-N 3.26Å; L589-S591 PolarHBondContact O-N 3.04Å
592S84.3Confident87.1Confident54 Ų5453.7 Ų53.738%0.37829%0.289SS..Hα-helixtrans-97.4-27.3-174.1-55.70000114.2V494 D588 L589V494-S592 WeakPolarHBondContact CG2-OG 3.49Å; D588-S592 WeakPolarHBondContact O-CB 3.49Å; D588-S592 PolarHBondContact O-N 3.47Å; D588-S592 VanDerWaalsContact O-N 3.08Å; D588-S592 PolarHBondContact O-OG 3.48Å; L589-S592 PolarHBondContact O-N 3.25Å
593C78.8Confident87.3Confident23 Ų2355.5 Ų55.516%0.15530%0.3CS..SBendtrans-143.1167.1-177.9690000111.2L589 C595L589-C593 CarbonylContact O-C 3.42Å; L589-C593 PolarHBondContact O-N 3.45Å; L589-C593 PolarHBondContact O-SG 2.83Å; C593-C595 PolarHBondContact O-N 3.14Å
594Q78.8Confident87.5Confident137 Ų13752.5 Ų52.564%0.6428%0.284SS*.  trans-73.370.7176.7-63.1-179.224.900111.1R604Q594-R604 VanDerWaalsContact O-CZ 3.22Å; Q594-R604 PolarHBondContact O-NH1 2.98Å; Q594-R604 PolarHBondContact O-NH2 2.85Å
595C79.5Confident87.8Confident12 Ų1250.8 Ų50.88%0.08127%0.269CS..  trans-99.2113.5-176.5171.20000111.6L589 R590 C593 T601L589-C595 HydrophobicContact CB-CB 3.92Å; R590-C595 HydrophobicContact CG-CB 4.31Å; R590-C595 VanDerWaalsContact CG-O 3.26Å; R590-C595 WeakPolarHBondContact CG-O 3.41Å; C593-C595 PolarHBondContact O-N 3.14Å; C595-T601 HydrophobicContact CB-CG2 4.43Å; C595-T601 PolarHBondContact SG-OG1 2.82Å
596F80.9Confident87.9Confident162 Ų16251.7 Ų51.771%0.71127%0.274SS*.SBendtrans-85.9-52.2169.9-66.4-81.5000110.8R590R590-F596 PolarHBondContact NH2-O 2.95Å
597D86Confident88.1Confident70 Ų7055.2 Ų55.237%0.37429%0.29SS..  trans-138163.3173.866.648.9000111.1T599 T600 T601D597-T599 PolarHBondContact OD1-N 3.02Å; D597-T600 VanDerWaalsContact CG-OG1 3.27Å; D597-T600 PolarHBondContact O-OG1 3.03Å; D597-T600 VanDerWaalsContact O-OG1 3.14Å; D597-T600 VanDerWaalsContact OD1-CB 3.23Å; D597-T600 WeakPolarHBondContact OD1-CB 3.5Å; D597-T600 VanDerWaalsContact OD1-CG2 3.22Å; D597-T600 WeakPolarHBondContact OD1-CG2 3.45Å; D597-T600 PolarHBondContact OD1-N 3.1Å; D597-T600 PolarHBondContact OD1-OG1 3.39Å; D597-T600 WeakPolarHBondContact OD2-CG2 3.47Å; D597-T601 WeakPolarHBondContact O-CB 3.36Å; D597-T601 PolarHBondContact O-N 3.32Å; D597-T601 PolarHBondContact O-OG1 3.07Å
598L87.2Confident88.3Confident7 Ų753.2 Ų53.24%0.03727%0.271CS..Hα-helixtrans-65.2-41-177.6-17661.9000112L563 L566 V582 L585 L586 L589 T601 L602L563-L598 HydrophobicContact CD1-CD2 4.13Å; L563-L598 HydrophobicContact CD1-CG 4Å; L566-L598 HydrophobicContact CB-CD2 3.93Å; L566-L598 HydrophobicContact CD1-CD2 3.82Å; V582-L598 HydrophobicContact CG1-CD2 4.5Å; L585-L598 HydrophobicContact CD2-CD1 4.26Å; L586-L598 HydrophobicContact CD2-CB 3.79Å; L589-L598 HydrophobicContact CD1-CD1 3.73Å; L598-T601 PolarHBondContact O-N 2.93Å; L598-L602 HydrophobicContact CD1-CD1 3.89Å; L598-L602 HydrophobicContact CD1-CG 4.09Å; L598-L602 HydrophobicContact CG-CD1 4.04Å; L598-L602 HydrophobicContact CG-CG 4.49Å; L598-L602 WeakPolarHBondContact O-CG 3.26Å; L598-L602 PolarHBondContact O-N 3.34Å
599T89.7Confident88.5Confident55 Ų5550.8 Ų50.834%0.33726%0.259SS..Hα-helixtrans-60.7-53.5-176.4-59.80000111.3L563 D597 T601 L602 V603L563-T599 HydrophobicContact CD2-CG2 3.88Å; D597-T599 PolarHBondContact OD1-N 3.02Å; T599-T601 VanDerWaalsContact C-N 3.31Å; T599-T601 PolarHBondContact O-N 2.88Å; T599-L602 PolarHBondContact O-N 3.38Å; T599-V603 WeakPolarHBondContact O-CB 3.3Å; T599-V603 WeakPolarHBondContact O-CG2 3.29Å; T599-V603 PolarHBondContact O-N 3.48Å; T599-V603 VanDerWaalsContact O-N 3.09Å
600T89.5Confident88.7Confident54 Ų5454.5 Ų54.533%0.33128%0.278SS..Hα-helixtrans-62.3-39.9179.255.60000111.2D597 V603 R604D597-T600 VanDerWaalsContact CG-OG1 3.27Å; D597-T600 PolarHBondContact O-OG1 3.03Å; D597-T600 VanDerWaalsContact O-OG1 3.14Å; D597-T600 VanDerWaalsContact OD1-CB 3.23Å; D597-T600 WeakPolarHBondContact OD1-CB 3.5Å; D597-T600 VanDerWaalsContact OD1-CG2 3.22Å; D597-T600 WeakPolarHBondContact OD1-CG2 3.45Å; D597-T600 PolarHBondContact OD1-N 3.1Å; D597-T600 PolarHBondContact OD1-OG1 3.39Å; D597-T600 WeakPolarHBondContact OD2-CG2 3.47Å; T600-V603 PolarHBondContact O-N 2.95Å; T600-R604 WeakPolarHBondContact O-CG 3.39Å; T600-R604 PolarHBondContact O-N 2.94Å
601T90.9Very high88.9Confident6 Ų652 Ų524%0.03727%0.271CS..Hα-helixtrans-64.7-45.7-179.7-56.40000111.9L491 C595 D597 L598 T599 V603 R604L491-T601 HydrophobicContact CD1-CG2 4.15Å; C595-T601 HydrophobicContact CB-CG2 4.43Å; C595-T601 PolarHBondContact SG-OG1 2.82Å; D597-T601 WeakPolarHBondContact O-CB 3.36Å; D597-T601 PolarHBondContact O-N 3.32Å; D597-T601 PolarHBondContact O-OG1 3.07Å; L598-T601 PolarHBondContact O-N 2.93Å; T599-T601 VanDerWaalsContact C-N 3.31Å; T599-T601 PolarHBondContact O-N 2.88Å; T601-V603 VanDerWaalsContact C-N 3.32Å; T601-V603 PolarHBondContact O-N 3.49Å; T601-R604 PolarHBondContact O-N 2.67Å
602L91.6Very high89.1Confident2 Ų247.7 Ų47.71%0.0124%0.241CC..Hα-helixtrans-74.8-18.6178.9-65.4-178.9000113.6L491 L507 Y555 Q559 L563 L598 T599 P605L491-L602 HydrophobicContact CD1-CD2 4.06Å; L491-L602 HydrophobicContact CD2-CD2 4.31Å; L507-L602 HydrophobicContact CD2-CD2 4.25Å; Y555-L602 WeakPolarHBondContact CE1-O 3.5Å; Y555-L602 PolarHBondContact OH-O 3.5Å; Q559-L602 HydrophobicContact CG-CB 3.86Å; L563-L602 HydrophobicContact CD1-CD1 4.23Å; L598-L602 HydrophobicContact CD1-CD1 3.89Å; L598-L602 HydrophobicContact CD1-CG 4.09Å; L598-L602 HydrophobicContact CG-CD1 4.04Å; L598-L602 HydrophobicContact CG-CG 4.49Å; L598-L602 WeakPolarHBondContact O-CG 3.26Å; L598-L602 PolarHBondContact O-N 3.34Å; T599-L602 PolarHBondContact O-N 3.38Å; L602-P605 WeakPolarHBondContact O-CD 3.41Å
603V92.9Very high89.5Confident39 Ų3945.9 Ų45.924%0.23623%0.228CC..Hα-helixtrans-85.5-20.7176.5169.50000112.4T599 T600 T601 I606 Q607T599-V603 WeakPolarHBondContact O-CB 3.3Å; T599-V603 WeakPolarHBondContact O-CG2 3.29Å; T599-V603 PolarHBondContact O-N 3.48Å; T599-V603 VanDerWaalsContact O-N 3.09Å; T600-V603 PolarHBondContact O-N 2.95Å; T601-V603 VanDerWaalsContact C-N 3.32Å; T601-V603 PolarHBondContact O-N 3.49Å; V603-I606 WeakPolarHBondContact O-CB 3.33Å; V603-I606 PolarHBondContact O-N 3.14Å; V603-I606 VanDerWaalsContact O-N 3.09Å; V603-Q607 HydrophobicContact CG1-CG 3.96Å; V603-Q607 PolarHBondContact O-N 3.38Å; V603-Q607 VanDerWaalsContact O-N 3.08Å
604R91.7Very high90Very high58 Ų5849.6 Ų49.622%0.21925%0.246CC..Hα-helixtrans-53.5-41.4-179-82.7175.7-167.5-173.19.4115Q594 T600 T601 I606 Q607 R608Q594-R604 VanDerWaalsContact O-CZ 3.22Å; Q594-R604 PolarHBondContact O-NH1 2.98Å; Q594-R604 PolarHBondContact O-NH2 2.85Å; T600-R604 WeakPolarHBondContact O-CG 3.39Å; T600-R604 PolarHBondContact O-N 2.94Å; T601-R604 PolarHBondContact O-N 2.67Å; R604-I606 VanDerWaalsContact C-N 3.29Å; R604-I606 PolarHBondContact O-N 2.9Å; R604-Q607 CarbonylContact O-C 3.59Å; R604-Q607 WeakPolarHBondContact O-CB 3.37Å; R604-Q607 PolarHBondContact O-N 2.93Å; R604-Q607 VanDerWaalsContact O-N 3.14Å; R604-R608 PolarHBondContact O-N 2.85Å
605P94.7Very high90.5Very high3 Ų346.1 Ų46.12%0.01923%0.227CC..Hα-helixtrans-59.5-41.7177.7-27.738.1000112.5Y484 L488 L491 L514 Y552 Y555 L602 Q607 R608 F609Y484-P605 VanDerWaalsContact OH-CA 3.29Å; Y484-P605 WeakPolarHBondContact OH-CA 3.5Å; Y484-P605 WeakPolarHBondContact OH-CB 3.49Å; L488-P605 HydrophobicContact CD2-CB 4.16Å; L488-P605 HydrophobicContact CD2-CG 3.8Å; L491-P605 HydrophobicContact CD2-CG 4.49Å; L514-P605 HydrophobicContact CD1-CB 4.14Å; Y552-P605 HydrophobicContact CE1-CB 4.02Å; Y552-P605 WeakPolarHBondContact CE1-O 3.39Å; Y555-P605 HydrophobicContact CD1-CB 4.11Å; Y555-P605 HydrophobicContact CE1-CB 3.65Å; Y555-P605 HydrophobicContact CE1-CG 3.79Å; L602-P605 WeakPolarHBondContact O-CD 3.41Å; P605-Q607 VanDerWaalsContact C-N 3.34Å; P605-Q607 PolarHBondContact O-N 3.45Å; P605-R608 WeakPolarHBondContact O-CB 3.47Å; P605-R608 PolarHBondContact O-N 3.43Å; P605-R608 VanDerWaalsContact O-N 3.15Å; P605-F609 PolarHBondContact O-N 3.38Å; P605-F609 VanDerWaalsContact O-N 3.1Å
606I93.4Very high90.9Very high22 Ų2245.7 Ų45.711%0.11322%0.224CC..Hα-helixtrans-62.2-45175.5-61.6167.2000110Y555 C556 V603 R604 R608 F609 L610 L645Y555-I606 HydrophobicContact CD1-CD1 4.49Å; Y555-I606 HydrophobicContact CD1-CG1 4.05Å; Y555-I606 HydrophobicContact CE1-CD1 4.49Å; Y555-I606 HydrophobicContact CE1-CG1 4.2Å; C556-I606 HydrophobicContact CB-CD1 3.9Å; C556-I606 HydrophobicContact CB-CG1 4.29Å; V603-I606 WeakPolarHBondContact O-CB 3.33Å; V603-I606 PolarHBondContact O-N 3.14Å; V603-I606 VanDerWaalsContact O-N 3.09Å; R604-I606 VanDerWaalsContact C-N 3.29Å; R604-I606 PolarHBondContact O-N 2.9Å; I606-R608 VanDerWaalsContact C-N 3.26Å; I606-R608 PolarHBondContact O-N 3.24Å; I606-F609 PolarHBondContact O-N 3Å; I606-L610 HydrophobicContact CG2-CD1 4.37Å; I606-L610 WeakPolarHBondContact O-CG 3.21Å; I606-L610 PolarHBondContact O-N 3.49Å; I606-L645 HydrophobicContact CG2-CD2 4.08Å
607Q92.7Very high91.3Very high96 Ų9640.9 Ų40.945%0.44921%0.208SC..Hα-helixtrans-62.4-32.3176-67176.7-21.100112.9V603 R604 P605 K611V603-Q607 HydrophobicContact CG1-CG 3.96Å; V603-Q607 PolarHBondContact O-N 3.38Å; V603-Q607 VanDerWaalsContact O-N 3.08Å; R604-Q607 CarbonylContact O-C 3.59Å; R604-Q607 WeakPolarHBondContact O-CB 3.37Å; R604-Q607 PolarHBondContact O-N 2.93Å; R604-Q607 VanDerWaalsContact O-N 3.14Å; P605-Q607 VanDerWaalsContact C-N 3.34Å; P605-Q607 PolarHBondContact O-N 3.45Å; Q607-K611 WeakPolarHBondContact O-CG 3.47Å; Q607-K611 PolarHBondContact O-N 2.87Å
608R94.4Very high91.2Very high28 Ų2839.3 Ų39.311%0.10621%0.208CC..Hα-helixtrans-67.5-47.1176.3-176.462.9176.2-168.18.7110.8S480 E481 Y484 R604 P605 I606 L610 K611 Y615S480-R608 PolarHBondContact OG-NH2 3.37Å; E481-R608 IonicContact OE1-CZ 2.76Å; E481-R608 IonicContact OE1-NE 2.69Å; E481-R608 PolarHBondContact OE1-NE 2.73Å; E481-R608 IonicContact OE1-NH2 3.42Å; E481-R608 PolarHBondContact OE1-NH2 3.09Å; Y484-R608 HydrophobicContact CD1-CG 3.73Å; Y484-R608 HydrophobicContact CD2-CB 4.2Å; Y484-R608 HydrophobicContact CD2-CG 3.92Å; Y484-R608 HydrophobicContact CE1-CB 4.18Å; Y484-R608 HydrophobicContact CE1-CG 3.58Å; Y484-R608 HydrophobicContact CE2-CB 3.69Å; Y484-R608 HydrophobicContact CE2-CG 3.79Å; Y484-R608 HydrophobicContact CG-CG 3.89Å; R604-R608 PolarHBondContact O-N 2.85Å; P605-R608 WeakPolarHBondContact O-CB 3.47Å; P605-R608 PolarHBondContact O-N 3.43Å; P605-R608 VanDerWaalsContact O-N 3.15Å; I606-R608 VanDerWaalsContact C-N 3.26Å; I606-R608 PolarHBondContact O-N 3.24Å; R608-L610 VanDerWaalsContact C-N 3.3Å; R608-L610 PolarHBondContact O-N 3.32Å; R608-K611 WeakPolarHBondContact O-CB 3.5Å; R608-K611 PolarHBondContact O-N 3.28Å; R608-Y615 PolarHBondContact NH1-OH 2.9Å; R608-Y615 VanDerWaalsContact NH1-OH 3.08Å
609F95.1Very high91.1Very high1 Ų139.2 Ų39.20%0.00421%0.207CC..Hα-helixtrans-57.2-43.7178.7-179.4-106.6000112.5L548 Y552 P605 I606 K611 Y612 L638 A641 L645L548-F609 HydrophobicContact CB-CD2 4.33Å; L548-F609 HydrophobicContact CB-CE2 3.81Å; Y552-F609 HydrophobicContact CD1-CB 3.72Å; Y552-F609 HydrophobicContact CD1-CG 4.27Å; Y552-F609 HydrophobicContact CD2-CB 3.82Å; Y552-F609 AromaticContact CD2-CD2 3.25Å; Y552-F609 HydrophobicContact CD2-CD2 3.25Å; Y552-F609 AromaticContact CD2-CE2 3.96Å; Y552-F609 HydrophobicContact CD2-CE2 3.96Å; Y552-F609 AromaticContact CD2-CG 3.65Å; Y552-F609 HydrophobicContact CD2-CG 3.65Å; Y552-F609 HydrophobicContact CE1-CB 3.85Å; Y552-F609 HydrophobicContact CE2-CB 3.94Å; Y552-F609 AromaticContact CE2-CD2 3.62Å; Y552-F609 HydrophobicContact CE2-CD2 3.62Å; Y552-F609 HydrophobicContact CE2-CG 4.11Å; Y552-F609 HydrophobicContact CG-CB 3.71Å; Y552-F609 HydrophobicContact CG-CD1 4.44Å; Y552-F609 AromaticContact CG-CD2 3.85Å; Y552-F609 HydrophobicContact CG-CD2 3.85Å; Y552-F609 AromaticContact CG-CG 3.74Å; Y552-F609 HydrophobicContact CG-CG 3.74Å; P605-F609 PolarHBondContact O-N 3.38Å; P605-F609 VanDerWaalsContact O-N 3.1Å; I606-F609 PolarHBondContact O-N 3Å; F609-K611 PolarHBondContact O-N 2.96Å; F609-K611 VanDerWaalsContact O-N 3.15Å; F609-Y612 AromaticContact CD2-CD2 3.89Å; F609-Y612 HydrophobicContact CD2-CD2 3.89Å; F609-Y612 HydrophobicContact CD2-CE2 4.17Å; F609-Y612 WeakPolarHBondContact O-CD2 3.41Å; F609-Y612 PolarHBondContact O-N 3.28Å; F609-L638 HydrophobicContact CE2-CD2 4.18Å; F609-A641 HydrophobicContact CE1-CB 4.4Å; F609-A641 HydrophobicContact CZ-CB 3.79Å; F609-L645 HydrophobicContact CD1-CD2 3.56Å; F609-L645 HydrophobicContact CE1-CB 4.46Å; F609-L645 HydrophobicContact CE1-CD2 4.03Å
610L93.5Very high90.9Very high79 Ų7938.5 Ų38.541%0.41420%0.201SC..THydrogen-bonded Turntrans-67-12.6178.2-64.2176.3000114I606 R608 L645I606-L610 HydrophobicContact CG2-CD1 4.37Å; I606-L610 WeakPolarHBondContact O-CG 3.21Å; I606-L610 PolarHBondContact O-N 3.49Å; R608-L610 VanDerWaalsContact C-N 3.3Å; R608-L610 PolarHBondContact O-N 3.32Å; L610-L645 HydrophobicContact CD2-CD2 4.31Å
611K92.4Very high90.6Very high92 Ų9244.2 Ų44.240%0.422%0.222SC..THydrogen-bonded Turntrans-88.4-17.1175.7-71172.6-177.5-178.90113.4Q607 R608 F609 L614 Y615Q607-K611 WeakPolarHBondContact O-CG 3.47Å; Q607-K611 PolarHBondContact O-N 2.87Å; R608-K611 WeakPolarHBondContact O-CB 3.5Å; R608-K611 PolarHBondContact O-N 3.28Å; F609-K611 PolarHBondContact O-N 2.96Å; F609-K611 VanDerWaalsContact O-N 3.15Å; K611-L614 WeakPolarHBondContact O-CA 3.45Å; K611-L614 WeakPolarHBondContact O-CB 3.33Å; K611-L614 PolarHBondContact O-N 3.28Å; K611-Y615 HydrophobicContact CB-CD2 4.32Å; K611-Y615 HydrophobicContact CB-CE2 3.65Å; K611-Y615 VanDerWaalsContact O-CD2 3.3Å; K611-Y615 WeakPolarHBondContact O-CD2 3.33Å; K611-Y615 PolarHBondContact O-N 3.05Å
612Y93.1Very high90.2Very high2 Ų246.4 Ų46.41%0.00823%0.232CC..Hα-helixtrans-56.4-44.6179.9-69.6-54.5000113.7E481 L521 F541 F609 L614 Y615 L616E481-Y612 WeakPolarHBondContact OE1-CE1 3.39Å; E481-Y612 PolarHBondContact OE1-OH 3.17Å; E481-Y612 VanDerWaalsContact OE1-OH 3.05Å; E481-Y612 PolarHBondContact OE2-OH 3.45Å; L521-Y612 HydrophobicContact CD2-CE1 4.27Å; F541-Y612 HydrophobicContact CD1-CD1 4.39Å; F541-Y612 AromaticContact CE1-CD1 3.34Å; F541-Y612 HydrophobicContact CE1-CD1 3.34Å; F541-Y612 HydrophobicContact CE1-CD2 4.49Å; F541-Y612 AromaticContact CE1-CE1 3.6Å; F541-Y612 HydrophobicContact CE1-CE1 3.6Å; F541-Y612 AromaticContact CE1-CG 3.85Å; F541-Y612 HydrophobicContact CE1-CG 3.85Å; F541-Y612 AromaticContact CZ-CD1 3.72Å; F541-Y612 HydrophobicContact CZ-CD1 3.72Å; F541-Y612 AromaticContact CZ-CE1 3.82Å; F541-Y612 HydrophobicContact CZ-CE1 3.82Å; F609-Y612 AromaticContact CD2-CD2 3.89Å; F609-Y612 HydrophobicContact CD2-CD2 3.89Å; F609-Y612 HydrophobicContact CD2-CE2 4.17Å; F609-Y612 WeakPolarHBondContact O-CD2 3.41Å; F609-Y612 PolarHBondContact O-N 3.28Å; Y612-L614 VanDerWaalsContact C-N 3.26Å; Y612-L614 PolarHBondContact O-N 3.01Å; Y612-Y615 HydrophobicContact CD1-CD2 4.03Å; Y612-Y615 PolarHBondContact O-N 3.41Å; Y612-L616 PolarHBondContact O-N 3.44Å; Y612-L616 VanDerWaalsContact O-N 3.09Å
613P92.1Very high89.7Confident15 Ų1547.4 Ų47.410%0.09724%0.241CC..Hα-helixtrans-56.1-40.2172.6-26.735.7000113Y615 L616 V617 L635 L638P613-Y615 VanDerWaalsContact C-N 3.35Å; P613-Y615 PolarHBondContact O-N 3.34Å; P613-L616 PolarHBondContact O-N 3.02Å; P613-V617 WeakPolarHBondContact O-CG2 3.31Å; P613-V617 PolarHBondContact O-N 3.28Å; P613-L635 HydrophobicContact CB-CD1 3.77Å; P613-L635 WeakPolarHBondContact O-CD1 3.28Å; P613-L638 HydrophobicContact CG-CB 4.12Å
614L90.2Very high89.1Confident102 Ų10249.8 Ų49.853%0.53425%0.252SS..Hα-helixtrans-67.4-36.1-179.9-55.9179000112.2K611 Y612 V617 G618K611-L614 WeakPolarHBondContact O-CA 3.45Å; K611-L614 WeakPolarHBondContact O-CB 3.33Å; K611-L614 PolarHBondContact O-N 3.28Å; Y612-L614 VanDerWaalsContact C-N 3.26Å; Y612-L614 PolarHBondContact O-N 3.01Å; L614-V617 PolarHBondContact O-N 2.7Å; L614-G618 PolarHBondContact O-N 3.21Å
615Y87.9Confident88.4Confident64 Ų6450.8 Ų50.825%0.25127%0.273SS..Hα-helixtrans-65-43174.2-62.3-43.2000111.6L477 R608 K611 Y612 P613 G618 L619L477-Y615 HydrophobicContact CD1-CD1 4.01Å; L477-Y615 HydrophobicContact CD1-CD2 3.65Å; L477-Y615 HydrophobicContact CD1-CE1 4.28Å; L477-Y615 HydrophobicContact CD1-CE2 3.96Å; L477-Y615 HydrophobicContact CD1-CG 3.71Å; L477-Y615 HydrophobicContact CD2-CG 4.32Å; R608-Y615 PolarHBondContact NH1-OH 2.9Å; R608-Y615 VanDerWaalsContact NH1-OH 3.08Å; K611-Y615 HydrophobicContact CB-CD2 4.32Å; K611-Y615 HydrophobicContact CB-CE2 3.65Å; K611-Y615 VanDerWaalsContact O-CD2 3.3Å; K611-Y615 WeakPolarHBondContact O-CD2 3.33Å; K611-Y615 PolarHBondContact O-N 3.05Å; Y612-Y615 HydrophobicContact CD1-CD2 4.03Å; Y612-Y615 PolarHBondContact O-N 3.41Å; P613-Y615 VanDerWaalsContact C-N 3.35Å; P613-Y615 PolarHBondContact O-N 3.34Å; Y615-G618 WeakPolarHBondContact O-CA 3.47Å; Y615-G618 PolarHBondContact O-N 2.65Å; Y615-G618 VanDerWaalsContact O-N 3.13Å; Y615-L619 WeakPolarHBondContact O-CG 3.22Å; Y615-L619 PolarHBondContact O-N 2.75Å
616L88.7Confident87.5Confident2 Ų253.5 Ų53.51%0.0130%0.296CS..Hα-helixtrans-64.9-40.1176.3-65.5-177.2000112.4F537 F541 Y612 P613 G618 L619 L620 L631 A634 L635 L638F537-L616 HydrophobicContact CD1-CD2 4.5Å; F537-L616 HydrophobicContact CE1-CD2 4.48Å; F541-L616 HydrophobicContact CD2-CD2 4.21Å; F541-L616 HydrophobicContact CG-CD2 4.43Å; Y612-L616 PolarHBondContact O-N 3.44Å; Y612-L616 VanDerWaalsContact O-N 3.09Å; P613-L616 PolarHBondContact O-N 3.02Å; L616-G618 VanDerWaalsContact C-N 3.25Å; L616-G618 PolarHBondContact O-N 3.42Å; L616-L619 PolarHBondContact O-N 3.38Å; L616-L619 VanDerWaalsContact O-N 3.16Å; L616-L620 WeakPolarHBondContact O-CG 3.36Å; L616-L620 PolarHBondContact O-N 3.14Å; L616-L631 HydrophobicContact CD2-CD2 3.83Å; L616-A634 HydrophobicContact CD1-CB 3.71Å; L616-L635 HydrophobicContact CB-CB 4.32Å; L616-L635 HydrophobicContact CB-CD1 4.32Å; L616-L635 HydrophobicContact CD1-CB 4.22Å; L616-L638 HydrophobicContact CD1-CD1 3.58Å
617V88.9Confident87Confident62 Ų6252.6 Ų52.638%0.37629%0.291SS..Hα-helixtrans-61.1-36.4172.2171.90000111.6P613 L614 L635P613-V617 WeakPolarHBondContact O-CG2 3.31Å; P613-V617 PolarHBondContact O-N 3.28Å; L614-V617 PolarHBondContact O-N 2.7Å; V617-L635 HydrophobicContact CG2-CD1 3.85Å; V617-L635 HydrophobicContact CG2-CD2 3.66Å; V617-L635 HydrophobicContact CG2-CG 4.44Å
618G84.6Confident86.6Confident36 Ų3651.5 Ų51.537%0.37129%0.286SS..Hα-helixtrans-61.4-44.817300000112.6L614 Y615 L616 K621L614-G618 PolarHBondContact O-N 3.21Å; Y615-G618 WeakPolarHBondContact O-CA 3.47Å; Y615-G618 PolarHBondContact O-N 2.65Å; Y615-G618 VanDerWaalsContact O-N 3.13Å; L616-G618 VanDerWaalsContact C-N 3.25Å; L616-G618 PolarHBondContact O-N 3.42Å; G618-K621 PolarHBondContact O-N 2.64Å
619L84.6Confident86.2Confident5 Ų554 Ų543%0.02631%0.305CS..Hα-helixtrans-71.8-32.3179.3-66.2175.8000113.1A473 I474 L477 F537 Y615 L616 K621 I622 A623 L631A473-L619 HydrophobicContact CB-CD2 4Å; I474-L619 HydrophobicContact CG1-CD2 4.48Å; L477-L619 HydrophobicContact CD2-CD1 4.35Å; F537-L619 HydrophobicContact CD1-CD1 3.53Å; F537-L619 HydrophobicContact CE1-CD1 3.44Å; F537-L619 VanDerWaalsContact CE1-CD1 3.44Å; F537-L619 HydrophobicContact CG-CD1 4.37Å; F537-L619 HydrophobicContact CZ-CD1 4.24Å; Y615-L619 WeakPolarHBondContact O-CG 3.22Å; Y615-L619 PolarHBondContact O-N 2.75Å; L616-L619 PolarHBondContact O-N 3.38Å; L616-L619 VanDerWaalsContact O-N 3.16Å; L619-K621 PolarHBondContact O-N 2.93Å; L619-I622 HydrophobicContact CD2-CD1 4.14Å; L619-I622 WeakPolarHBondContact O-CG1 3.36Å; L619-I622 PolarHBondContact O-N 3.37Å; L619-I622 VanDerWaalsContact O-N 3.1Å; L619-A623 PolarHBondContact O-N 3.14Å; L619-A623 VanDerWaalsContact O-N 3.14Å; L619-L631 HydrophobicContact CB-CD1 4.23Å; L619-L631 HydrophobicContact CB-CD2 4.36Å; L619-L631 HydrophobicContact CD1-CD2 4.46Å
620L85.4Confident85.8Confident41 Ų4157.2 Ų57.222%0.21532%0.32CS..Hα-helixtrans-59.9-28175.9-80.8170.7000112.9L616 I622 A623 E628 L631 K632 L635L616-L620 WeakPolarHBondContact O-CG 3.36Å; L616-L620 PolarHBondContact O-N 3.14Å; L620-I622 PolarHBondContact O-N 2.79Å; L620-A623 PolarHBondContact O-N 3.27Å; L620-E628 HydrophobicContact CD2-CG 4.11Å; L620-L631 HydrophobicContact CD2-CB 3.43Å; L620-L631 VanDerWaalsContact CD2-CB 3.43Å; L620-L631 HydrophobicContact CD2-CD1 4.13Å; L620-L631 HydrophobicContact CD2-CG 4.45Å; L620-L631 HydrophobicContact CG-CB 3.92Å; L620-L631 HydrophobicContact CG-CD1 4.47Å; L620-K632 HydrophobicContact CD1-CG 4.36Å; L620-K632 HydrophobicContact CD2-CG 4.03Å; L620-L635 HydrophobicContact CD1-CD2 3.66Å
621K84.2Confident85.6Confident174 Ų17453.4 Ų53.476%0.75730%0.3SS*.THydrogen-bonded Turntrans-68.7-19.1178.1-66.3176.4-177.11760114G618 L619G618-K621 PolarHBondContact O-N 2.64Å; L619-K621 PolarHBondContact O-N 2.93Å
622I82.3Confident85.5Confident51 Ų5154 Ų5426%0.26230%0.302SS..THydrogen-bonded Turntrans-118.73-177.459.4176.6000112A470 A473 L534 L619 L620A470-I622 HydrophobicContact CB-CD1 4.18Å; A473-I622 HydrophobicContact CB-CD1 4.02Å; L534-I622 HydrophobicContact CD2-CG1 4.21Å; L619-I622 HydrophobicContact CD2-CD1 4.14Å; L619-I622 WeakPolarHBondContact O-CG1 3.36Å; L619-I622 PolarHBondContact O-N 3.37Å; L619-I622 VanDerWaalsContact O-N 3.1Å; L620-I622 PolarHBondContact O-N 2.79Å
623A80.6Confident85.3Confident24 Ų2456.6 Ų56.620%0.19832%0.321CS..  trans-75.7143.9-175.800000111.9L534 L619 L620 L631L534-A623 HydrophobicContact CD2-CB 4.19Å; L619-A623 PolarHBondContact O-N 3.14Å; L619-A623 VanDerWaalsContact O-N 3.14Å; L620-A623 PolarHBondContact O-N 3.27Å; A623-L631 HydrophobicContact CB-CD1 3.66Å
624D80.3Confident85.3Confident88 Ų8855.9 Ų55.947%0.47132%0.316SS..  trans-79.4165.8164.268.4-52.6000110.9A626 S627 E628D624-A626 VanDerWaalsContact C-N 3.26Å; D624-A626 PolarHBondContact O-N 2.79Å; D624-S627 PolarHBondContact O-N 2.93Å; D624-S627 VanDerWaalsContact O-N 3.12Å; D624-S627 WeakPolarHBondContact OD1-CB 3.39Å; D624-S627 PolarHBondContact OD1-OG 3.28Å; D624-E628 WeakPolarHBondContact O-CB 3.36Å; D624-E628 PolarHBondContact O-N 3.41Å
625A77.7Confident85.4Confident79 Ų7952.7 Ų52.765%0.65330%0.3SS*.Hα-helixtrans-57.7-35.2-174.400000113.6
626A76.2Confident85.4Confident61 Ų6151 Ų5150%0.50430%0.297SS..Hα-helixtrans-69.8-44.417800000111.3D624 T629D624-A626 VanDerWaalsContact C-N 3.26Å; D624-A626 PolarHBondContact O-N 2.79Å; A626-T629 PolarHBondContact O-OG1 3.49Å
627S81.4Confident85.5Confident2 Ų255.9 Ų55.91%0.01432%0.315CS..Hα-helixtrans-71.6-28178-570000113.7L534 A535 D624 T629 H630 L631L534-S627 WeakPolarHBondContact CB-OG 3.37Å; A535-S627 PolarHBondContact N-OG 3.24Å; D624-S627 PolarHBondContact O-N 2.93Å; D624-S627 VanDerWaalsContact O-N 3.12Å; D624-S627 WeakPolarHBondContact OD1-CB 3.39Å; D624-S627 PolarHBondContact OD1-OG 3.28Å; S627-T629 VanDerWaalsContact C-N 3.25Å; S627-T629 PolarHBondContact O-N 3.37Å; S627-H630 PolarHBondContact O-N 2.99Å; S627-L631 WeakPolarHBondContact O-CB 3.35Å; S627-L631 WeakPolarHBondContact O-CG 3.4Å; S627-L631 PolarHBondContact O-N 3.41Å
628E85.2Confident85.7Confident74 Ų7453 Ų5335%0.34630%0.297SS..Hα-helixtrans-56.2-40.6179.7-172.3178.7165.100111.6L620 D624 K632L620-E628 HydrophobicContact CD2-CG 4.11Å; D624-E628 WeakPolarHBondContact O-CB 3.36Å; D624-E628 PolarHBondContact O-N 3.41Å; E628-K632 HydrophobicContact CG-CD 4.15Å; E628-K632 HydrophobicContact CG-CG 4.43Å; E628-K632 WeakPolarHBondContact O-CB 3.47Å; E628-K632 VanDerWaalsContact O-CG 3.29Å; E628-K632 WeakPolarHBondContact O-CG 3.48Å; E628-K632 PolarHBondContact O-N 3.21Å; E628-K632 WeakPolarHBondContact OE1-CE 3.25Å; E628-K632 IonicContact OE1-NZ 2.64Å; E628-K632 PolarHBondContact OE1-NZ 3.32Å
629T86Confident85.9Confident80 Ų8053.2 Ų53.249%0.49129%0.293SS..Hα-helixtrans-61.9-51.1179.263.10000112.5A626 S627 K632 S633A626-T629 PolarHBondContact O-OG1 3.49Å; S627-T629 VanDerWaalsContact C-N 3.25Å; S627-T629 PolarHBondContact O-N 3.37Å; T629-K632 PolarHBondContact O-N 3Å; T629-S633 WeakPolarHBondContact O-CB 3.41Å; T629-S633 PolarHBondContact O-N 3.37Å; T629-S633 PolarHBondContact O-OG 3.26Å
630H87.2Confident86Confident68 Ų6854.2 Ų54.232%0.31530%0.301SS..Hα-helixtrans-66.5-39.7179.6-69-79.8000111.9Q539 S627 S633 A634Q539-H630 PolarHBondContact OE1-ND1 3.34Å; S627-H630 PolarHBondContact O-N 2.99Å; H630-S633 PolarHBondContact O-N 3.08Å; H630-A634 WeakPolarHBondContact O-CB 3.47Å; H630-A634 PolarHBondContact O-N 2.83Å
631L89.4Confident86.2Confident0 Ų052.5 Ų52.50%029%0.292CS..Hα-helixtrans-68.1-40.5178.1-72.6171.3000112.1L534 L616 L619 L620 A623 S627 A634 L635L534-L631 HydrophobicContact CB-CD1 4.4Å; L534-L631 HydrophobicContact CD2-CD1 4.31Å; L616-L631 HydrophobicContact CD2-CD2 3.83Å; L619-L631 HydrophobicContact CB-CD1 4.23Å; L619-L631 HydrophobicContact CB-CD2 4.36Å; L619-L631 HydrophobicContact CD1-CD2 4.46Å; L620-L631 HydrophobicContact CD2-CB 3.43Å; L620-L631 VanDerWaalsContact CD2-CB 3.43Å; L620-L631 HydrophobicContact CD2-CD1 4.13Å; L620-L631 HydrophobicContact CD2-CG 4.45Å; L620-L631 HydrophobicContact CG-CB 3.92Å; L620-L631 HydrophobicContact CG-CD1 4.47Å; A623-L631 HydrophobicContact CB-CD1 3.66Å; S627-L631 WeakPolarHBondContact O-CB 3.35Å; S627-L631 WeakPolarHBondContact O-CG 3.4Å; S627-L631 PolarHBondContact O-N 3.41Å; L631-A634 PolarHBondContact O-N 3.45Å; L631-L635 VanDerWaalsContact O-CB 3.24Å; L631-L635 WeakPolarHBondContact O-CB 3.45Å; L631-L635 PolarHBondContact O-N 3.07Å
632K90.2Very high86.5Confident103 Ų10345.1 Ų45.145%0.44826%0.263SS..Hα-helixtrans-62.9-44.3173.5-78.7-179.6-179.1171.70111.5L620 E628 T629 A634 L635 C636L620-K632 HydrophobicContact CD1-CG 4.36Å; L620-K632 HydrophobicContact CD2-CG 4.03Å; E628-K632 HydrophobicContact CG-CD 4.15Å; E628-K632 HydrophobicContact CG-CG 4.43Å; E628-K632 WeakPolarHBondContact O-CB 3.47Å; E628-K632 VanDerWaalsContact O-CG 3.29Å; E628-K632 WeakPolarHBondContact O-CG 3.48Å; E628-K632 PolarHBondContact O-N 3.21Å; E628-K632 WeakPolarHBondContact OE1-CE 3.25Å; E628-K632 IonicContact OE1-NZ 2.64Å; E628-K632 PolarHBondContact OE1-NZ 3.32Å; T629-K632 PolarHBondContact O-N 3Å; K632-A634 PolarHBondContact O-N 2.75Å; K632-L635 PolarHBondContact O-N 2.88Å; K632-C636 WeakPolarHBondContact O-CB 3.5Å; K632-C636 PolarHBondContact O-N 3.27Å
633S88.4Confident86.7Confident57 Ų5747.9 Ų47.940%0.39927%0.273SS..Hα-helixtrans-60-45.1177.1-59.40000111.7T629 H630 C636 R637T629-S633 WeakPolarHBondContact O-CB 3.41Å; T629-S633 PolarHBondContact O-N 3.37Å; T629-S633 PolarHBondContact O-OG 3.26Å; H630-S633 PolarHBondContact O-N 3.08Å; S633-C636 PolarHBondContact O-N 3.35Å; S633-R637 PolarHBondContact O-N 3.36Å; S633-R637 VanDerWaalsContact O-N 3.15Å
634A91.6Very high87Confident0 Ų051.1 Ų51.10%029%0.286CS..Hα-helixtrans-65.5-41.3175.900000112.5G538 F541 L616 H630 L631 K632 R637 L638G538-A634 VanDerWaalsContact O-CB 3.27Å; G538-A634 WeakPolarHBondContact O-CB 3.41Å; F541-A634 HydrophobicContact CB-CB 4.12Å; L616-A634 HydrophobicContact CD1-CB 3.71Å; H630-A634 WeakPolarHBondContact O-CB 3.47Å; H630-A634 PolarHBondContact O-N 2.83Å; L631-A634 PolarHBondContact O-N 3.45Å; K632-A634 PolarHBondContact O-N 2.75Å; A634-R637 PolarHBondContact O-N 2.97Å; A634-L638 WeakPolarHBondContact O-CB 3.25Å; A634-L638 PolarHBondContact O-N 2.82Å
635L92.4Very high87.3Confident36 Ų3647.1 Ų47.119%0.18827%0.265CS..Hα-helixtrans-61.8-44.8177175.661.6000111.1P613 L616 V617 L620 L631 K632 L638 S639P613-L635 HydrophobicContact CB-CD1 3.77Å; P613-L635 WeakPolarHBondContact O-CD1 3.28Å; L616-L635 HydrophobicContact CB-CB 4.32Å; L616-L635 HydrophobicContact CB-CD1 4.32Å; L616-L635 HydrophobicContact CD1-CB 4.22Å; V617-L635 HydrophobicContact CG2-CD1 3.85Å; V617-L635 HydrophobicContact CG2-CD2 3.66Å; V617-L635 HydrophobicContact CG2-CG 4.44Å; L620-L635 HydrophobicContact CD1-CD2 3.66Å; L631-L635 VanDerWaalsContact O-CB 3.24Å; L631-L635 WeakPolarHBondContact O-CB 3.45Å; L631-L635 PolarHBondContact O-N 3.07Å; K632-L635 PolarHBondContact O-N 2.88Å; L635-L638 PolarHBondContact O-N 2.83Å; L635-S639 WeakPolarHBondContact O-CB 3.34Å; L635-S639 PolarHBondContact O-N 2.88Å
636C89Confident87.7Confident28 Ų2848.9 Ų48.919%0.18926%0.263CS..Hα-helixtrans-56.8-55.2175.6174.80000110.7K632 S633 L638 S639 S640 E1044K632-C636 WeakPolarHBondContact O-CB 3.5Å; K632-C636 PolarHBondContact O-N 3.27Å; S633-C636 PolarHBondContact O-N 3.35Å; C636-L638 PolarHBondContact O-N 2.76Å; C636-S639 WeakPolarHBondContact O-CB 3.41Å; C636-S639 PolarHBondContact O-N 3.36Å; C636-S639 VanDerWaalsContact O-N 3.17Å; C636-S640 PolarHBondContact O-N 3.27Å; C636-S640 PolarHBondContact O-OG 2.78Å; C636-E1044 WeakPolarHBondContact CB-O 3.38Å; C636-E1044 PolarHBondContact SG-O 2.73Å
637R89.8Confident88.1Confident105 Ų10547.7 Ų47.740%0.39625%0.247SC..Hα-helixtrans-60.7-41.7-178.8-73.1-154.6169-170.3-3.2113.4Y542 S633 A634 S640 A641Y542-R637 HydrophobicContact CD2-CG 4.2Å; Y542-R637 VanDerWaalsContact CE2-CD 3.49Å; Y542-R637 HydrophobicContact CE2-CG 4Å; Y542-R637 PolarHBondContact OH-NE 3.44Å; Y542-R637 PolarHBondContact OH-NH2 3.21Å; Y542-R637 VanDerWaalsContact OH-NH2 3.17Å; S633-R637 PolarHBondContact O-N 3.36Å; S633-R637 VanDerWaalsContact O-N 3.15Å; A634-R637 PolarHBondContact O-N 2.97Å; R637-S640 PolarHBondContact O-N 2.81Å; R637-A641 VanDerWaalsContact O-CB 3.31Å; R637-A641 WeakPolarHBondContact O-CB 3.42Å; R637-A641 PolarHBondContact O-N 3.24Å
638L92.6Very high88.2Confident1 Ų148.6 Ų48.61%0.00525%0.252CS..Hα-helixtrans-73.3-29.1178.5-75.2166.1000113.1F541 F609 P613 L616 A634 L635 C636 S642F541-L638 HydrophobicContact CB-CD1 4.05Å; F541-L638 HydrophobicContact CD1-CD1 3.79Å; F541-L638 HydrophobicContact CG-CD1 4.23Å; F609-L638 HydrophobicContact CE2-CD2 4.18Å; P613-L638 HydrophobicContact CG-CB 4.12Å; L616-L638 HydrophobicContact CD1-CD1 3.58Å; A634-L638 WeakPolarHBondContact O-CB 3.25Å; A634-L638 PolarHBondContact O-N 2.82Å; L635-L638 PolarHBondContact O-N 2.83Å; C636-L638 PolarHBondContact O-N 2.76Å; L638-S642 WeakPolarHBondContact O-CB 3.44Å; L638-S642 PolarHBondContact O-N 3.27Å; L638-S642 PolarHBondContact O-OG 3Å
639S90.2Very high88.2Confident41 Ų4148.2 Ų48.229%0.28725%0.249SC..Hα-helixtrans-67.6-47.8171.5-172.60000110.5L635 C636 A641 S642 K643L635-S639 WeakPolarHBondContact O-CB 3.34Å; L635-S639 PolarHBondContact O-N 2.88Å; C636-S639 WeakPolarHBondContact O-CB 3.41Å; C636-S639 PolarHBondContact O-N 3.36Å; C636-S639 VanDerWaalsContact O-N 3.17Å; S639-A641 VanDerWaalsContact C-N 3.31Å; S639-A641 PolarHBondContact O-N 3.03Å; S639-S642 WeakPolarHBondContact O-CB 3.42Å; S639-S642 PolarHBondContact O-N 3.39Å; S639-S642 VanDerWaalsContact O-N 3.12Å; S639-K643 WeakPolarHBondContact O-CG 3.29Å; S639-K643 PolarHBondContact O-N 2.79Å
640S86.6Confident88.1Confident25 Ų2549.7 Ų49.718%0.17525%0.246CC..Hα-helixtrans-58.6-41.9172.5-64.80000111.8C636 R637 S642 K643 L644C636-S640 PolarHBondContact O-N 3.27Å; C636-S640 PolarHBondContact O-OG 2.78Å; R637-S640 PolarHBondContact O-N 2.81Å; S640-S642 VanDerWaalsContact C-N 3.34Å; S640-S642 PolarHBondContact O-N 3.38Å; S640-K643 WeakPolarHBondContact O-CB 3.49Å; S640-K643 PolarHBondContact O-N 2.85Å; S640-L644 WeakPolarHBondContact O-CG 3.33Å; S640-L644 PolarHBondContact O-N 3.33Å
641A89.5Confident87.8Confident5 Ų550.1 Ų50.14%0.04125%0.245CC..Hα-helixtrans-64.9-35.2175.100000113.4F609 R637 S639 L644 L645F609-A641 HydrophobicContact CE1-CB 4.4Å; F609-A641 HydrophobicContact CZ-CB 3.79Å; R637-A641 VanDerWaalsContact O-CB 3.31Å; R637-A641 WeakPolarHBondContact O-CB 3.42Å; R637-A641 PolarHBondContact O-N 3.24Å; S639-A641 VanDerWaalsContact C-N 3.31Å; S639-A641 PolarHBondContact O-N 3.03Å; A641-L644 PolarHBondContact O-N 3.44Å; A641-L645 PolarHBondContact O-N 3.35Å
642S89.2Confident87.2Confident19 Ų1951 Ų5113%0.13325%0.251CS..Hα-helixtrans-67.4-40.5173.7-62.10000111.5L638 S639 S640 L645 N646L638-S642 WeakPolarHBondContact O-CB 3.44Å; L638-S642 PolarHBondContact O-N 3.27Å; L638-S642 PolarHBondContact O-OG 3Å; S639-S642 WeakPolarHBondContact O-CB 3.42Å; S639-S642 PolarHBondContact O-N 3.39Å; S639-S642 VanDerWaalsContact O-N 3.12Å; S640-S642 VanDerWaalsContact C-N 3.34Å; S640-S642 PolarHBondContact O-N 3.38Å; S642-L645 PolarHBondContact O-N 3.05Å; S642-N646 PolarHBondContact O-N 3.32Å
643K86.9Confident86.7Confident109 Ų10949.7 Ų49.747%0.47425%0.249SC..Hα-helixtrans-60.2-44171.7-66173-172.6171.80111S639 S640 L645 N646 E647S639-K643 WeakPolarHBondContact O-CG 3.29Å; S639-K643 PolarHBondContact O-N 2.79Å; S640-K643 WeakPolarHBondContact O-CB 3.49Å; S640-K643 PolarHBondContact O-N 2.85Å; K643-L645 PolarHBondContact O-N 3.36Å; K643-N646 PolarHBondContact O-N 3.22Å; K643-E647 VanDerWaalsContact O-CB 3.3Å; K643-E647 WeakPolarHBondContact O-CB 3.17Å; K643-E647 PolarHBondContact O-N 3.34Å
644L86.5Confident86Confident92 Ų9248.6 Ų48.648%0.48224%0.238SC..Hα-helixtrans-62.2-40.6176.8-72.7172.9000112.7I553 S640 A641 E647 N648I553-L644 HydrophobicContact CD1-CB 4.35Å; S640-L644 WeakPolarHBondContact O-CG 3.33Å; S640-L644 PolarHBondContact O-N 3.33Å; A641-L644 PolarHBondContact O-N 3.44Å; L644-E647 PolarHBondContact O-N 3.09Å; L644-N648 WeakPolarHBondContact O-CB 3.48Å; L644-N648 PolarHBondContact O-N 2.93Å
645L88.2Confident85.1Confident5 Ų549 Ų493%0.02624%0.241CC..Hα-helixtrans-65.2-44.8176.5-178.761.5000111.7I553 C556 I606 F609 L610 A641 S642 K643 E647 N648 K649I553-L645 HydrophobicContact CB-CD1 4.37Å; I553-L645 HydrophobicContact CG1-CB 4.34Å; I553-L645 HydrophobicContact CG1-CD1 3.72Å; C556-L645 HydrophobicContact CB-CD1 3.86Å; I606-L645 HydrophobicContact CG2-CD2 4.08Å; F609-L645 HydrophobicContact CD1-CD2 3.56Å; F609-L645 HydrophobicContact CE1-CB 4.46Å; F609-L645 HydrophobicContact CE1-CD2 4.03Å; L610-L645 HydrophobicContact CD2-CD2 4.31Å; A641-L645 PolarHBondContact O-N 3.35Å; S642-L645 PolarHBondContact O-N 3.05Å; K643-L645 PolarHBondContact O-N 3.36Å; L645-E647 VanDerWaalsContact C-N 3.29Å; L645-E647 PolarHBondContact O-N 2.89Å; L645-N648 PolarHBondContact O-N 2.87Å; L645-K649 PolarHBondContact O-N 3.27Å
646N86.1Confident84.5Confident115 Ų11552.2 Ų52.262%0.61525%0.253SS*.Hα-helixtrans-63.5-37.4175.4-173.447.3000111.8S642 K643 K649 R650S642-N646 PolarHBondContact O-N 3.32Å; K643-N646 PolarHBondContact O-N 3.22Å; N646-K649 WeakPolarHBondContact O-CB 3.26Å; N646-K649 PolarHBondContact O-N 3.44Å; N646-R650 WeakPolarHBondContact O-CB 3.37Å; N646-R650 PolarHBondContact O-N 3.34Å
647E83.4Confident84.1Confident37 Ų3755.9 Ų55.917%0.17327%0.266CS..Hα-helixtrans-64.7-47.7174.2178.454.7-149.800111.5K643 L644 L645 K649 R650 R651K643-E647 VanDerWaalsContact O-CB 3.3Å; K643-E647 WeakPolarHBondContact O-CB 3.17Å; K643-E647 PolarHBondContact O-N 3.34Å; L644-E647 PolarHBondContact O-N 3.09Å; L645-E647 VanDerWaalsContact C-N 3.29Å; L645-E647 PolarHBondContact O-N 2.89Å; E647-K649 VanDerWaalsContact C-N 3.3Å; E647-K649 PolarHBondContact O-N 3.01Å; E647-R650 VanDerWaalsContact CD-CZ 3.46Å; E647-R650 WeakPolarHBondContact O-CB 3.44Å; E647-R650 PolarHBondContact O-N 3.32Å; E647-R650 VanDerWaalsContact O-N 3.11Å; E647-R650 IonicContact OE1-CZ 2.67Å; E647-R650 IonicContact OE1-NE 3.12Å; E647-R650 IonicContact OE1-NH2 3.6Å; E647-R650 PolarHBondContact OE1-NH2 3.29Å; E647-R650 IonicContact OE2-CZ 2.9Å; E647-R650 IonicContact OE2-NE 3.87Å; E647-R650 PolarHBondContact OE2-NE 2.91Å; E647-R650 VanDerWaalsContact OE2-NE 3.12Å; E647-R650 IonicContact OE2-NH1 3.53Å; E647-R650 PolarHBondContact OE2-NH1 3.11Å; E647-R650 IonicContact OE2-NH2 3.93Å; E647-R650 PolarHBondContact OE2-NH2 2.86Å; E647-R651 VanDerWaalsContact O-CG 3.27Å; E647-R651 WeakPolarHBondContact O-CG 3.38Å; E647-R651 PolarHBondContact O-N 2.97Å; E647-R651 IonicContact OE1-CZ 3.88Å; E647-R651 IonicContact OE1-NE 2.71Å; E647-R651 PolarHBondContact OE1-NE 3.39Å; E647-R651 VanDerWaalsContact OE1-NE 3.1Å; E647-R651 IonicContact OE1-NH2 3.2Å
648N84.4Confident83.3Confident21 Ų2151.5 Ų51.511%0.11225%0.249CC..Hα-helixtrans-55.6-45.2174.2176.181.7000111.5I553 N557 L644 L645 R650 R651 S652I553-N648 HydrophobicContact CG2-CB 4.25Å; N557-N648 PolarHBondContact ND2-OD1 3.01Å; N557-N648 PolarHBondContact OD1-ND2 3.47Å; L644-N648 WeakPolarHBondContact O-CB 3.48Å; L644-N648 PolarHBondContact O-N 2.93Å; L645-N648 PolarHBondContact O-N 2.87Å; N648-R650 PolarHBondContact O-N 3.13Å; N648-R651 WeakPolarHBondContact O-CB 3.29Å; N648-R651 PolarHBondContact O-N 2.83Å; N648-S652 PolarHBondContact O-N 2.92Å; N648-S652 PolarHBondContact O-OG 2.86Å
649K84.9Confident82.5Confident65 Ų6555.4 Ų55.428%0.28326%0.264SS..Hα-helixtrans-56.2-48.7174.2170.460.7-174.1144.50112.1E560 L645 N646 E647 R651 S652 D653E560-K649 WeakPolarHBondContact OE1-CD 3.49Å; E560-K649 WeakPolarHBondContact OE1-CE 3.45Å; E560-K649 IonicContact OE1-NZ 2.84Å; E560-K649 PolarHBondContact OE1-NZ 3.05Å; E560-K649 IonicContact OE2-NZ 2.62Å; L645-K649 PolarHBondContact O-N 3.27Å; N646-K649 WeakPolarHBondContact O-CB 3.26Å; N646-K649 PolarHBondContact O-N 3.44Å; E647-K649 VanDerWaalsContact C-N 3.3Å; E647-K649 PolarHBondContact O-N 3.01Å; K649-R651 VanDerWaalsContact C-N 3.29Å; K649-R651 PolarHBondContact O-N 3.18Å; K649-S652 PolarHBondContact O-N 3.32Å; K649-D653 WeakPolarHBondContact CE-OD2 3.33Å; K649-D653 IonicContact NZ-OD1 2.81Å; K649-D653 PolarHBondContact NZ-OD1 3.1Å; K649-D653 IonicContact NZ-OD2 3.99Å; K649-D653 PolarHBondContact NZ-OD2 3.33Å; K649-D653 VanDerWaalsContact NZ-OD2 3.07Å; K649-D653 PolarHBondContact O-N 2.89Å
650R84.5Confident81.8Confident112 Ų11257.5 Ų57.542%0.42327%0.27SS..Hα-helixtrans-60.4-39177.9-170.6-172.374.8179.95.2111.8N646 E647 N648 L654 A844N646-R650 WeakPolarHBondContact O-CB 3.37Å; N646-R650 PolarHBondContact O-N 3.34Å; E647-R650 VanDerWaalsContact CD-CZ 3.46Å; E647-R650 WeakPolarHBondContact O-CB 3.44Å; E647-R650 PolarHBondContact O-N 3.32Å; E647-R650 VanDerWaalsContact O-N 3.11Å; E647-R650 IonicContact OE1-CZ 2.67Å; E647-R650 IonicContact OE1-NE 3.12Å; E647-R650 IonicContact OE1-NH2 3.6Å; E647-R650 PolarHBondContact OE1-NH2 3.29Å; E647-R650 IonicContact OE2-CZ 2.9Å; E647-R650 IonicContact OE2-NE 3.87Å; E647-R650 PolarHBondContact OE2-NE 2.91Å; E647-R650 VanDerWaalsContact OE2-NE 3.12Å; E647-R650 IonicContact OE2-NH1 3.53Å; E647-R650 PolarHBondContact OE2-NH1 3.11Å; E647-R650 IonicContact OE2-NH2 3.93Å; E647-R650 PolarHBondContact OE2-NH2 2.86Å; N648-R650 PolarHBondContact O-N 3.13Å; R650-L654 WeakPolarHBondContact O-CB 3.29Å; R650-L654 PolarHBondContact O-N 2.88Å; R650-A844 VanDerWaalsContact NH2-CB 3.3Å
651R80Confident81Confident77 Ų7758.7 Ų58.729%0.29127%0.272SS..Hα-helixtrans-62.3-49.3176.2-66.3174.6-175.5174.80.2110.9E647 N648 K649 D653 L654 V655 A848E647-R651 VanDerWaalsContact O-CG 3.27Å; E647-R651 WeakPolarHBondContact O-CG 3.38Å; E647-R651 PolarHBondContact O-N 2.97Å; E647-R651 IonicContact OE1-CZ 3.88Å; E647-R651 IonicContact OE1-NE 2.71Å; E647-R651 PolarHBondContact OE1-NE 3.39Å; E647-R651 VanDerWaalsContact OE1-NE 3.1Å; E647-R651 IonicContact OE1-NH2 3.2Å; N648-R651 WeakPolarHBondContact O-CB 3.29Å; N648-R651 PolarHBondContact O-N 2.83Å; K649-R651 VanDerWaalsContact C-N 3.29Å; K649-R651 PolarHBondContact O-N 3.18Å; R651-D653 VanDerWaalsContact C-N 3.34Å; R651-D653 PolarHBondContact O-N 3.22Å; R651-L654 PolarHBondContact O-N 3.32Å; R651-V655 WeakPolarHBondContact O-CG2 3.35Å; R651-V655 PolarHBondContact O-N 3Å; R651-A848 HydrophobicContact CB-CB 4.18Å; R651-A848 HydrophobicContact CG-CB 3.63Å
652S77Confident79.7Confident19 Ų1959 Ų5913%0.13327%0.274CS..Hα-helixtrans-57.5-44.6177.4-61.50000112.2E560 N648 K649 L654 V655 K656E560-S652 VanDerWaalsContact OE2-CB 3.27Å; E560-S652 WeakPolarHBondContact OE2-CB 3.46Å; N648-S652 PolarHBondContact O-N 2.92Å; N648-S652 PolarHBondContact O-OG 2.86Å; K649-S652 PolarHBondContact O-N 3.32Å; S652-L654 PolarHBondContact O-N 3.23Å; S652-V655 PolarHBondContact O-N 2.97Å; S652-K656 WeakPolarHBondContact O-CB 3.27Å; S652-K656 PolarHBondContact O-N 3.32Å
653D78.8Confident78.6Confident74 Ų7463.8 Ų63.840%0.39629%0.294SS..Hα-helixtrans-64.6-40.6177-76-25.5000113K649 R651 V655 K656 K657K649-D653 WeakPolarHBondContact CE-OD2 3.33Å; K649-D653 IonicContact NZ-OD1 2.81Å; K649-D653 PolarHBondContact NZ-OD1 3.1Å; K649-D653 IonicContact NZ-OD2 3.99Å; K649-D653 PolarHBondContact NZ-OD2 3.33Å; K649-D653 VanDerWaalsContact NZ-OD2 3.07Å; K649-D653 PolarHBondContact O-N 2.89Å; R651-D653 VanDerWaalsContact C-N 3.34Å; R651-D653 PolarHBondContact O-N 3.22Å; D653-V655 VanDerWaalsContact C-N 3.33Å; D653-V655 PolarHBondContact O-N 3Å; D653-K656 PolarHBondContact O-N 3.45Å; D653-K657 WeakPolarHBondContact O-CB 3.35Å; D653-K657 PolarHBondContact O-N 3.2Å
654L75.5Confident77.4Confident34 Ų3462.1 Ų62.118%0.17829%0.285CS..Hα-helixtrans-64.9-40.3179.2-171.866.5000111.3R650 R651 S652 K657 Y658 A845 A848R650-L654 WeakPolarHBondContact O-CB 3.29Å; R650-L654 PolarHBondContact O-N 2.88Å; R651-L654 PolarHBondContact O-N 3.32Å; S652-L654 PolarHBondContact O-N 3.23Å; L654-K657 WeakPolarHBondContact O-CB 3.25Å; L654-K657 PolarHBondContact O-N 3.22Å; L654-Y658 HydrophobicContact CD1-CD2 4.49Å; L654-Y658 HydrophobicContact CD1-CE2 3.71Å; L654-Y658 HydrophobicContact CD2-CE2 3.92Å; L654-Y658 HydrophobicContact CG-CD2 4.07Å; L654-Y658 HydrophobicContact CG-CE2 3.46Å; L654-Y658 VanDerWaalsContact CG-CE2 3.46Å; L654-Y658 WeakPolarHBondContact O-CD2 3.06Å; L654-Y658 PolarHBondContact O-N 3.48Å; L654-A845 HydrophobicContact CD2-CB 4.3Å; L654-A848 HydrophobicContact CD2-CB 3.76Å
655V72Confident75.7Confident10 Ų1060.3 Ų60.36%0.06128%0.28CS..Hα-helixtrans-69.5-45.8178.1172.50000110.7R651 S652 D653 K657 Y658 R659 L849 Q852R651-V655 WeakPolarHBondContact O-CG2 3.35Å; R651-V655 PolarHBondContact O-N 3Å; S652-V655 PolarHBondContact O-N 2.97Å; D653-V655 VanDerWaalsContact C-N 3.33Å; D653-V655 PolarHBondContact O-N 3Å; V655-K657 VanDerWaalsContact C-N 3.27Å; V655-K657 PolarHBondContact O-N 3.48Å; V655-Y658 PolarHBondContact O-N 3.41Å; V655-R659 WeakPolarHBondContact O-CB 3.35Å; V655-R659 PolarHBondContact O-N 2.87Å; V655-L849 HydrophobicContact CG2-CD1 4.36Å; V655-Q852 HydrophobicContact CB-CG 4.14Å; V655-Q852 HydrophobicContact CG1-CG 3.84Å; V655-Q852 HydrophobicContact CG2-CB 3.58Å; V655-Q852 HydrophobicContact CG2-CG 3.63Å
656K78.5Confident73.3Confident103 Ų10367.2 Ų67.245%0.44831%0.31SS..Hα-helixtrans-55.1-45.6174.6-175.6175.6179.8177.30111.2S652 D653 Y658 R659 E660S652-K656 WeakPolarHBondContact O-CB 3.27Å; S652-K656 PolarHBondContact O-N 3.32Å; D653-K656 PolarHBondContact O-N 3.45Å; K656-Y658 VanDerWaalsContact C-N 3.35Å; K656-Y658 PolarHBondContact O-N 2.89Å; K656-R659 PolarHBondContact O-N 3.42Å; K656-E660 WeakPolarHBondContact CE-OE1 3.27Å; K656-E660 WeakPolarHBondContact CG-OE1 3.29Å; K656-E660 WeakPolarHBondContact O-CB 3.34Å; K656-E660 WeakPolarHBondContact O-CG 3.35Å; K656-E660 PolarHBondContact O-N 3.09Å
657K81Confident71.2Confident105 Ų10563.4 Ų63.446%0.45730%0.295SS..Hα-helixtrans-57.7-44174.4176.7-176.4176.6-179.90112.5D653 L654 V655 E661D653-K657 WeakPolarHBondContact O-CB 3.35Å; D653-K657 PolarHBondContact O-N 3.2Å; L654-K657 WeakPolarHBondContact O-CB 3.25Å; L654-K657 PolarHBondContact O-N 3.22Å; V655-K657 VanDerWaalsContact C-N 3.27Å; V655-K657 PolarHBondContact O-N 3.48Å; K657-E661 VanDerWaalsContact CE-OE1 3.29Å; K657-E661 WeakPolarHBondContact CE-OE1 3.22Å; K657-E661 WeakPolarHBondContact O-CB 3.34Å; K657-E661 WeakPolarHBondContact O-CG 3.39Å; K657-E661 PolarHBondContact O-N 3.05Å
658Y74.2Confident69.9Low12 Ų1265 Ų655%0.04730%0.304CS..Hα-helixtrans-72-35.7179.4-68-44.3000113L654 V655 K656 E661 C662 K805 K809 L849L654-Y658 HydrophobicContact CD1-CD2 4.49Å; L654-Y658 HydrophobicContact CD1-CE2 3.71Å; L654-Y658 HydrophobicContact CD2-CE2 3.92Å; L654-Y658 HydrophobicContact CG-CD2 4.07Å; L654-Y658 HydrophobicContact CG-CE2 3.46Å; L654-Y658 VanDerWaalsContact CG-CE2 3.46Å; L654-Y658 WeakPolarHBondContact O-CD2 3.06Å; L654-Y658 PolarHBondContact O-N 3.48Å; V655-Y658 PolarHBondContact O-N 3.41Å; K656-Y658 VanDerWaalsContact C-N 3.35Å; K656-Y658 PolarHBondContact O-N 2.89Å; Y658-E661 PolarHBondContact O-N 3.18Å; Y658-C662 WeakPolarHBondContact O-CB 3.41Å; Y658-C662 PolarHBondContact O-N 2.85Å; Y658-C662 PolarHBondContact O-SG 2.8Å; Y658-K805 HydrophobicContact CD1-CD 4.34Å; Y658-K805 VanDerWaalsContact CD1-CE 3.44Å; Y658-K805 HydrophobicContact CD1-CG 4.03Å; Y658-K805 HydrophobicContact CE1-CD 4.39Å; Y658-K805 HydrophobicContact CE1-CG 4.3Å; Y658-K805 HydrophobicContact CG-CG 4.17Å; Y658-K809 WeakPolarHBondContact OH-CE 3.33Å; Y658-K809 PolarHBondContact OH-NZ 3.49Å; Y658-L849 HydrophobicContact CD2-CD1 3.99Å; Y658-L849 HydrophobicContact CD2-CD2 4.02Å; Y658-L849 HydrophobicContact CE2-CD2 4.06Å
659R75.3Confident68.4Low84 Ų8468.8 Ų68.832%0.31732%0.317SS..Hα-helixtrans-60.5-50.2172.9-173176.2-72.6-96.13.2110.4V655 K656 E661 C662 E663 I798 D856V655-R659 WeakPolarHBondContact O-CB 3.35Å; V655-R659 PolarHBondContact O-N 2.87Å; K656-R659 PolarHBondContact O-N 3.42Å; R659-E661 PolarHBondContact O-N 2.78Å; R659-C662 WeakPolarHBondContact O-CB 3.35Å; R659-C662 PolarHBondContact O-N 3.16Å; R659-E663 PolarHBondContact O-N 3.11Å; R659-E663 VanDerWaalsContact O-N 3.11Å; R659-I798 HydrophobicContact CG-CG2 4.17Å; R659-D856 IonicContact NH2-OD2 3.55Å; R659-D856 PolarHBondContact NH2-OD2 2.86Å
660E74.3Confident66.5Low85 Ų8570.6 Ų70.640%0.39733%0.329SS..Hα-helixtrans-61.6-41.4174.8-70.1173.9-171.400112.3K656 C662 E663 R664K656-E660 WeakPolarHBondContact CE-OE1 3.27Å; K656-E660 WeakPolarHBondContact CG-OE1 3.29Å; K656-E660 WeakPolarHBondContact O-CB 3.34Å; K656-E660 WeakPolarHBondContact O-CG 3.35Å; K656-E660 PolarHBondContact O-N 3.09Å; E660-C662 PolarHBondContact O-N 2.93Å; E660-E663 PolarHBondContact O-N 3.38Å; E660-R664 WeakPolarHBondContact O-CG 2.98Å; E660-R664 PolarHBondContact O-N 3Å
661E70.1Confident64.8Low50 Ų5069.3 Ų69.323%0.23434%0.337CS..Hα-helixtrans-60-34.8173.2-83.1178.6-169.400112.5K657 Y658 R659 E663 R669 K805K657-E661 VanDerWaalsContact CE-OE1 3.29Å; K657-E661 WeakPolarHBondContact CE-OE1 3.22Å; K657-E661 WeakPolarHBondContact O-CB 3.34Å; K657-E661 WeakPolarHBondContact O-CG 3.39Å; K657-E661 PolarHBondContact O-N 3.05Å; Y658-E661 PolarHBondContact O-N 3.18Å; R659-E661 PolarHBondContact O-N 2.78Å; E661-E663 VanDerWaalsContact C-N 3.34Å; E661-R669 PolarHBondContact O-NH2 3.47Å; E661-K805 IonicContact OE2-NZ 2.69Å; E661-K805 PolarHBondContact OE2-NZ 3.27Å
662C64Low63.6Low11 Ų1171.5 Ų71.57%0.07435%0.349CS..Hα-helixtrans-75.5-23.3179.4-71.30000113.4Y658 R659 E660 R669 K801Y658-C662 WeakPolarHBondContact O-CB 3.41Å; Y658-C662 PolarHBondContact O-N 2.85Å; Y658-C662 PolarHBondContact O-SG 2.8Å; R659-C662 WeakPolarHBondContact O-CB 3.35Å; R659-C662 PolarHBondContact O-N 3.16Å; E660-C662 PolarHBondContact O-N 2.93Å; C662-R669 PolarHBondContact O-NH2 3.36Å; C662-K801 HydrophobicContact CB-CB 4.14Å; C662-K801 HydrophobicContact CB-CD 3.88Å; C662-K801 PolarHBondContact O-NZ 3.5Å; C662-K801 VanDerWaalsContact SG-CB 3.57Å
663E65.7Low62.3Low119 Ų11976.4 Ų76.456%0.55637%0.368SS*.Hα-helixtrans-89.4-24176.3-70.7177.4178.400113.1R659 E660 E661 S665 I798R659-E663 PolarHBondContact O-N 3.11Å; R659-E663 VanDerWaalsContact O-N 3.11Å; E660-E663 PolarHBondContact O-N 3.38Å; E661-E663 VanDerWaalsContact C-N 3.34Å; E663-S665 PolarHBondContact O-N 3.39Å; E663-I798 HydrophobicContact CG-CD1 4.33Å
664R61.2Low60.9Low75 Ų7576.9 Ų76.928%0.28337%0.371SS..SBendtrans-53.9139.4176-80.5177.2-166.3149.38.2112.6E660 D668 R669 K672E660-R664 WeakPolarHBondContact O-CG 2.98Å; E660-R664 PolarHBondContact O-N 3Å; R664-D668 HydrophobicContact CB-CB 4.16Å; R664-D668 HydrophobicContact CG-CB 4.44Å; R664-R669 PolarHBondContact O-NE 2.74Å; R664-R669 VanDerWaalsContact O-NE 3.08Å; R664-R669 PolarHBondContact O-NH2 2.87Å; R664-K672 VanDerWaalsContact NH1-NZ 3.1Å
665S50.6Low59.9Low54 Ų5480.4 Ų80.438%0.37839%0.393SS..  trans-57.2151.5176.1179.80000111.1E663 A667 D668 R669E663-S665 PolarHBondContact O-N 3.39Å; S665-A667 PolarHBondContact O-N 3.34Å; S665-D668 PolarHBondContact O-N 3.43Å; S665-D668 VanDerWaalsContact O-N 3.12Å; S665-R669 PolarHBondContact O-N 3.16Å
666F38.2Very low59Low149 Ų14986.3 Ų86.365%0.65442%0.42SS*.Hα-helixtrans-55-36.1175.5-177.1-104.6000111.8R669 L670F666-R669 PolarHBondContact O-N 3.23Å; F666-L670 HydrophobicContact CD1-CD1 3.66Å; F666-L670 HydrophobicContact CD2-CD1 4.31Å; F666-L670 HydrophobicContact CE1-CD1 3.17Å; F666-L670 HydrophobicContact CE2-CD1 3.89Å; F666-L670 HydrophobicContact CG-CD1 4.21Å; F666-L670 HydrophobicContact CZ-CD1 3.31Å; F666-L670 PolarHBondContact O-N 2.95Å
667A41.6Very low58.3Low36 Ų3683.9 Ų83.930%0.29842%0.416SS..Hα-helixtrans-60.2-46.2175.700000112.4S665 R669 L670 S671S665-A667 PolarHBondContact O-N 3.34Å; A667-R669 PolarHBondContact O-N 2.94Å; A667-L670 PolarHBondContact O-N 2.92Å; A667-S671 PolarHBondContact O-N 2.93Å; A667-S671 VanDerWaalsContact O-N 3.1Å
668D55.6Low57Low69 Ų6983.8 Ų83.837%0.36942%0.418SS..Hα-helixtrans-66.2-24.6177.7-63-34.7000113.3R664 S665 S671R664-D668 HydrophobicContact CB-CB 4.16Å; R664-D668 HydrophobicContact CG-CB 4.44Å; S665-D668 PolarHBondContact O-N 3.43Å; S665-D668 VanDerWaalsContact O-N 3.12Å; D668-S671 PolarHBondContact O-OG 3.45Å
669R54.2Low56.6Low102 Ų10292.2 Ų92.239%0.38545%0.45SS..Hα-helixtrans-80-38.4175.5-63.6-177.3-156.7-161.30.8111.5E661 C662 R664 S665 F666 A667 S671 K672 F673E661-R669 PolarHBondContact O-NH2 3.47Å; C662-R669 PolarHBondContact O-NH2 3.36Å; R664-R669 PolarHBondContact O-NE 2.74Å; R664-R669 VanDerWaalsContact O-NE 3.08Å; R664-R669 PolarHBondContact O-NH2 2.87Å; S665-R669 PolarHBondContact O-N 3.16Å; F666-R669 PolarHBondContact O-N 3.23Å; A667-R669 PolarHBondContact O-N 2.94Å; R669-S671 VanDerWaalsContact C-N 3.35Å; R669-K672 PolarHBondContact O-N 3.21Å; R669-F673 PolarHBondContact O-N 3.33Å
670L45.3Very low56.6Low103 Ų10393.7 Ų93.754%0.53946%0.459SS..Hα-helixtrans-64-41.1176.3-110.698.9000111.6F666 A667 K672 F673F666-L670 HydrophobicContact CD1-CD1 3.66Å; F666-L670 HydrophobicContact CD2-CD1 4.31Å; F666-L670 HydrophobicContact CE1-CD1 3.17Å; F666-L670 HydrophobicContact CE2-CD1 3.89Å; F666-L670 HydrophobicContact CG-CD1 4.21Å; F666-L670 HydrophobicContact CZ-CD1 3.31Å; F666-L670 PolarHBondContact O-N 2.95Å; A667-L670 PolarHBondContact O-N 2.92Å; L670-K672 PolarHBondContact O-N 3.44Å; L670-K672 VanDerWaalsContact O-N 3.09Å; L670-F673 VanDerWaalsContact O-CB 3.22Å; L670-F673 WeakPolarHBondContact O-CB 3.48Å; L670-F673 PolarHBondContact O-N 3.33Å
671S47Very low56.5Low85 Ų8595 Ų9559%0.59446%0.463SS*.THydrogen-bonded Turntrans-61.9-19.2177.866.70000113.4A667 D668 R669A667-S671 PolarHBondContact O-N 2.93Å; A667-S671 VanDerWaalsContact O-N 3.1Å; D668-S671 PolarHBondContact O-OG 3.45Å; R669-S671 VanDerWaalsContact C-N 3.35Å
672K56.6Low56.6Low122 Ų12296.5 Ų96.553%0.5348%0.479SS..THydrogen-bonded Turntrans-100.85.7175.9-65-178-177.6-177.40113.8R664 R669 L670 N674R664-K672 VanDerWaalsContact NH1-NZ 3.1Å; R669-K672 PolarHBondContact O-N 3.21Å; L670-K672 PolarHBondContact O-N 3.44Å; L670-K672 VanDerWaalsContact O-N 3.09Å; K672-N674 PolarHBondContact O-N 3.15Å
673F48.8Very low57.4Low122 Ų12297.9 Ų97.954%0.53549%0.489SS..  trans-71.9100.1-179.9-164.4-99.9000110.2R669 L670 M678R669-F673 PolarHBondContact O-N 3.33Å; L670-F673 VanDerWaalsContact O-CB 3.22Å; L670-F673 WeakPolarHBondContact O-CB 3.48Å; L670-F673 PolarHBondContact O-N 3.33Å; F673-M678 HydrophobicContact CE1-CG 3.74Å; F673-M678 HydrophobicContact CE1-SD 3.65Å; F673-M678 HydrophobicContact CE2-CG 4.39Å; F673-M678 HydrophobicContact CZ-CG 3.54Å; F673-M678 HydrophobicContact CZ-SD 3.97Å
674N49Very low58.5Low84 Ų8493.4 Ų93.445%0.44947%0.467SS..  trans-113154.6-178.4-170.5-0.2000111K672 H676 S677 M678K672-N674 PolarHBondContact O-N 3.15Å; N674-H676 PolarHBondContact O-N 3.29Å; N674-S677 WeakPolarHBondContact O-CA 3.35Å; N674-S677 VanDerWaalsContact O-CB 3.3Å; N674-S677 WeakPolarHBondContact O-CB 3.39Å; N674-S677 PolarHBondContact O-N 2.6Å; N674-M678 PolarHBondContact O-N 2.87Å
675V54.1Low59.1Low108 Ų10894 Ų9466%0.65548%0.475SS*.Hα-helixtrans-52.6-38.2174.4177.20000111.8S677 M678 R679V675-S677 VanDerWaalsContact C-N 3.27Å; V675-S677 PolarHBondContact O-N 3.37Å; V675-M678 WeakPolarHBondContact O-CB 3.44Å; V675-M678 PolarHBondContact O-N 3.31Å; V675-M678 VanDerWaalsContact O-N 3.13Å; V675-R679 PolarHBondContact O-N 3.37Å
676H53.8Low60.5Low134 Ų13493.1 Ų93.162%0.6248%0.475SS*.Hα-helixtrans-59.8-36.1175.2-69.8-67.7000112.9N674 K680N674-H676 PolarHBondContact O-N 3.29Å; H676-K680 WeakPolarHBondContact O-CG 3.43Å; H676-K680 PolarHBondContact O-N 3.18Å; H676-K680 VanDerWaalsContact O-N 3.16Å
677S64.3Low62.6Low52 Ų5286.8 Ų86.836%0.36445%0.449SS..Hα-helixtrans-70.6-36.6175.9-60.30000111.6N674 V675 K681N674-S677 WeakPolarHBondContact O-CA 3.35Å; N674-S677 VanDerWaalsContact O-CB 3.3Å; N674-S677 WeakPolarHBondContact O-CB 3.39Å; N674-S677 PolarHBondContact O-N 2.6Å; V675-S677 VanDerWaalsContact C-N 3.27Å; V675-S677 PolarHBondContact O-N 3.37Å; S677-K681 WeakPolarHBondContact O-CG 3.47Å; S677-K681 PolarHBondContact O-N 3.01Å
678M53.3Low64.2Low103 Ų10391.1 Ų91.151%0.50746%0.457SS..Hα-helixtrans-64.5-45.3173-70.6-177.465.400112.1F673 N674 V675 K680 K681 S682F673-M678 HydrophobicContact CE1-CG 3.74Å; F673-M678 HydrophobicContact CE1-SD 3.65Å; F673-M678 HydrophobicContact CE2-CG 4.39Å; F673-M678 HydrophobicContact CZ-CG 3.54Å; F673-M678 HydrophobicContact CZ-SD 3.97Å; N674-M678 PolarHBondContact O-N 2.87Å; V675-M678 WeakPolarHBondContact O-CB 3.44Å; V675-M678 PolarHBondContact O-N 3.31Å; V675-M678 VanDerWaalsContact O-N 3.13Å; M678-K680 VanDerWaalsContact C-N 3.3Å; M678-K680 PolarHBondContact O-N 2.77Å; M678-K681 PolarHBondContact O-N 3.03Å; M678-S682 WeakPolarHBondContact O-CB 3.33Å; M678-S682 PolarHBondContact O-N 2.97Å
679R65.5Low64.9Low189 Ų18992.3 Ų92.371%0.71346%0.463SS*.Hα-helixtrans-61.4-38.8178.6-171.5175.1-179.71710.8112V675 S683V675-R679 PolarHBondContact O-N 3.37Å; R679-S683 WeakPolarHBondContact O-CB 3.44Å; R679-S683 PolarHBondContact O-N 3.45Å; R679-S683 PolarHBondContact O-OG 2.89Å
680K76.6Confident65.8Low116 Ų11689.3 Ų89.350%0.50446%0.458SS..Hα-helixtrans-62.2-51.5172.3-73.8-177.2-178.5-1760111.3H676 M678 S682 S683 R684H676-K680 WeakPolarHBondContact O-CG 3.43Å; H676-K680 PolarHBondContact O-N 3.18Å; H676-K680 VanDerWaalsContact O-N 3.16Å; M678-K680 VanDerWaalsContact C-N 3.3Å; M678-K680 PolarHBondContact O-N 2.77Å; K680-S682 VanDerWaalsContact C-N 3.31Å; K680-S682 PolarHBondContact O-N 2.71Å; K680-S683 PolarHBondContact O-N 3.23Å; K680-S683 VanDerWaalsContact O-N 3.11Å; K680-R684 VanDerWaalsContact O-CG 3.29Å; K680-R684 WeakPolarHBondContact O-CG 3.25Å; K680-R684 PolarHBondContact O-N 2.95Å
681K71.9Confident67.2Low113 Ų11385.7 Ų85.749%0.49144%0.441SS..Hα-helixtrans-56.6-42.6177.3-74.3-175.9175.6-169.30112.9S677 M678 R684 L685S677-K681 WeakPolarHBondContact O-CG 3.47Å; S677-K681 PolarHBondContact O-N 3.01Å; M678-K681 PolarHBondContact O-N 3.03Å; K681-R684 PolarHBondContact O-N 2.93Å; K681-L685 WeakPolarHBondContact O-CG 3.49Å; K681-L685 PolarHBondContact O-N 2.91Å
682S71.9Confident68.4Low80 Ų8087 Ų8756%0.55945%0.446SS*.Hα-helixtrans-61.8-45175.1170.50000112M678 K680 R684 L685 G686M678-S682 WeakPolarHBondContact O-CB 3.33Å; M678-S682 PolarHBondContact O-N 2.97Å; K680-S682 VanDerWaalsContact C-N 3.31Å; K680-S682 PolarHBondContact O-N 2.71Å; S682-R684 VanDerWaalsContact C-N 3.35Å; S682-R684 PolarHBondContact O-N 2.85Å; S682-L685 PolarHBondContact O-N 2.73Å; S682-G686 PolarHBondContact O-N 2.79Å
683S81Confident69.2Low41 Ų4188.3 Ų88.329%0.28745%0.452SS..Hα-helixtrans-63.3-41.6177.5-53.30000111.7R679 K680 G686 V687R679-S683 WeakPolarHBondContact O-CB 3.44Å; R679-S683 PolarHBondContact O-N 3.45Å; R679-S683 PolarHBondContact O-OG 2.89Å; K680-S683 PolarHBondContact O-N 3.23Å; K680-S683 VanDerWaalsContact O-N 3.11Å; S683-G686 PolarHBondContact O-N 2.97Å; S683-V687 PolarHBondContact O-N 2.87Å
684R88.7Confident70.1Confident25 Ų2585.7 Ų85.79%0.09446%0.459CS..Hα-helixtrans-61.9-43.1175.4-67.8171-165.7177.5-8.7112.1K680 K681 S682 G686 V687 R688 D808 L811 D812K680-R684 VanDerWaalsContact O-CG 3.29Å; K680-R684 WeakPolarHBondContact O-CG 3.25Å; K680-R684 PolarHBondContact O-N 2.95Å; K681-R684 PolarHBondContact O-N 2.93Å; S682-R684 VanDerWaalsContact C-N 3.35Å; S682-R684 PolarHBondContact O-N 2.85Å; R684-G686 VanDerWaalsContact C-N 3.31Å; R684-G686 PolarHBondContact O-N 2.55Å; R684-V687 PolarHBondContact O-N 3.07Å; R684-R688 WeakPolarHBondContact O-CG 3.22Å; R684-R688 PolarHBondContact O-N 2.94Å; R684-D808 IonicContact CZ-OD2 2.77Å; R684-D808 IonicContact NH1-OD1 2.76Å; R684-D808 PolarHBondContact NH1-OD1 3.33Å; R684-D808 IonicContact NH1-OD2 3.36Å; R684-D808 PolarHBondContact NH1-OD2 2.96Å; R684-L811 HydrophobicContact CB-CB 4.07Å; R684-L811 HydrophobicContact CB-CD1 4.07Å; R684-L811 HydrophobicContact CG-CB 3.84Å; R684-D812 IonicContact CZ-OD1 3.02Å; R684-D812 IonicContact CZ-OD2 3.58Å; R684-D812 IonicContact NE-OD1 2.63Å; R684-D812 PolarHBondContact NE-OD1 2.78Å; R684-D812 IonicContact NE-OD2 2.78Å; R684-D812 VanDerWaalsContact NH2-CG 3.34Å; R684-D812 IonicContact NH2-OD1 2.95Å; R684-D812 PolarHBondContact NH2-OD1 2.94Å; R684-D812 VanDerWaalsContact NH2-OD1 3.09Å; R684-D812 IonicContact NH2-OD2 3.99Å; R684-D812 PolarHBondContact NH2-OD2 3.29Å
685L73.8Confident70.9Confident86 Ų8688.2 Ų88.245%0.4547%0.471SS..Hα-helixtrans-61.1-40.4175.6-80.1170.2000111.7K681 S682 V687 R688 L689K681-L685 WeakPolarHBondContact O-CG 3.49Å; K681-L685 PolarHBondContact O-N 2.91Å; S682-L685 PolarHBondContact O-N 2.73Å; L685-V687 PolarHBondContact O-N 2.76Å; L685-R688 PolarHBondContact O-N 3.47Å; L685-L689 WeakPolarHBondContact O-CB 3.46Å; L685-L689 WeakPolarHBondContact O-CG 3.42Å; L685-L689 PolarHBondContact O-N 2.82Å
686G79.8Confident71.5Confident37 Ų3784.8 Ų84.838%0.38145%0.451SS..Hα-helixtrans-58-45176.100000113S682 S683 R684 S690S682-G686 PolarHBondContact O-N 2.79Å; S683-G686 PolarHBondContact O-N 2.97Å; R684-G686 VanDerWaalsContact C-N 3.31Å; R684-G686 PolarHBondContact O-N 2.55Å; G686-S690 PolarHBondContact O-N 3.1Å; G686-S690 VanDerWaalsContact O-N 3.1Å; G686-S690 PolarHBondContact O-OG 2.94Å
687V81.8Confident72.5Confident16 Ų1687.3 Ų87.310%0.09746%0.463CS..Hα-helixtrans-68.4-43.2176.4176.80000111.6S683 R684 L685 L689 S690 S691 L698 L811 E814 V815S683-V687 PolarHBondContact O-N 2.87Å; R684-V687 PolarHBondContact O-N 3.07Å; L685-V687 PolarHBondContact O-N 2.76Å; V687-L689 VanDerWaalsContact C-N 3.34Å; V687-L689 PolarHBondContact O-N 3.36Å; V687-S690 WeakPolarHBondContact O-CB 3.48Å; V687-S690 PolarHBondContact O-N 3.37Å; V687-S691 PolarHBondContact O-N 3.43Å; V687-L698 HydrophobicContact CG1-CD2 4.22Å; V687-L811 HydrophobicContact CB-CD2 4.05Å; V687-L811 HydrophobicContact CG1-CD2 3.72Å; V687-E814 HydrophobicContact CG1-CB 4.09Å; V687-E814 HydrophobicContact CG1-CG 3.63Å; V687-V815 HydrophobicContact CG2-CG2 3.53Å
688R74.7Confident73.3Confident126 Ų12687.1 Ų87.148%0.47546%0.458SS..Hα-helixtrans-60.1-41.3176.8-73.8177.474151.9-1.9113R684 L685 S691 T692 L811R684-R688 WeakPolarHBondContact O-CG 3.22Å; R684-R688 PolarHBondContact O-N 2.94Å; L685-R688 PolarHBondContact O-N 3.47Å; R688-S691 PolarHBondContact O-N 3.48Å; R688-S691 PolarHBondContact O-OG 2.78Å; R688-T692 WeakPolarHBondContact O-CB 3.49Å; R688-T692 PolarHBondContact O-N 3.37Å; R688-T692 PolarHBondContact O-OG1 3.1Å; R688-L811 VanDerWaalsContact CD-CD1 3.46Å; R688-L811 HydrophobicContact CG-CD1 3.38Å; R688-L811 HydrophobicContact CG-CD2 3.63Å; R688-L811 HydrophobicContact CG-CG 4.15Å
689L71.4Confident74.8Confident95 Ų9586.6 Ų86.650%0.49745%0.45SS..Hα-helixtrans-64.5-46.4175.9-72.3173.5000109.9L685 V687 S691 T692 F693L685-L689 WeakPolarHBondContact O-CB 3.46Å; L685-L689 WeakPolarHBondContact O-CG 3.42Å; L685-L689 PolarHBondContact O-N 2.82Å; V687-L689 VanDerWaalsContact C-N 3.34Å; V687-L689 PolarHBondContact O-N 3.36Å; L689-S691 PolarHBondContact O-N 3.24Å; L689-T692 PolarHBondContact O-N 3.23Å; L689-F693 HydrophobicContact CB-CD2 4.29Å; L689-F693 HydrophobicContact CB-CE2 4.18Å; L689-F693 HydrophobicContact CD2-CE2 4.14Å; L689-F693 WeakPolarHBondContact O-CB 3.4Å; L689-F693 WeakPolarHBondContact O-CD2 3.1Å; L689-F693 PolarHBondContact O-N 2.99Å
690S72.6Confident75.6Confident39 Ų3983.2 Ų83.227%0.27345%0.45SS..Hα-helixtrans-57.4-40.3177.1-53.80000111.6G686 V687 G694 L695 T696G686-S690 PolarHBondContact O-N 3.1Å; G686-S690 VanDerWaalsContact O-N 3.1Å; G686-S690 PolarHBondContact O-OG 2.94Å; V687-S690 WeakPolarHBondContact O-CB 3.48Å; V687-S690 PolarHBondContact O-N 3.37Å; S690-G694 PolarHBondContact O-N 3.47Å; S690-L695 WeakPolarHBondContact O-CA 3.3Å; S690-L695 WeakPolarHBondContact O-CB 3.46Å; S690-L695 PolarHBondContact O-N 3.39Å; S690-T696 WeakPolarHBondContact CB-OG1 3.18Å; S690-T696 PolarHBondContact O-N 3.24Å
691S74.9Confident76.1Confident27 Ų2779.3 Ų79.319%0.18944%0.435CS..Hα-helixtrans-72.9-37.9176.872.80000114.2V687 R688 L689 F693 G694 T696 L698V687-S691 PolarHBondContact O-N 3.43Å; R688-S691 PolarHBondContact O-N 3.48Å; R688-S691 PolarHBondContact O-OG 2.78Å; L689-S691 PolarHBondContact O-N 3.24Å; S691-F693 VanDerWaalsContact C-N 3.3Å; S691-F693 PolarHBondContact O-N 2.8Å; S691-G694 PolarHBondContact O-N 2.96Å; S691-G694 VanDerWaalsContact O-N 3.08Å; S691-T696 WeakPolarHBondContact CA-O 3.47Å; S691-T696 WeakPolarHBondContact CB-O 3.23Å; S691-L698 VanDerWaalsContact CB-CD1 3.41Å; S691-L698 WeakPolarHBondContact OG-CD1 3.39Å
692T72.2Confident76.9Confident112 Ų11281 Ų8169%0.68745%0.445SS*.Hα-helixtrans-66.2-35.3177.6-53.80000111.1R688 L689 G694R688-T692 WeakPolarHBondContact O-CB 3.49Å; R688-T692 PolarHBondContact O-N 3.37Å; R688-T692 PolarHBondContact O-OG1 3.1Å; L689-T692 PolarHBondContact O-N 3.23Å; T692-G694 PolarHBondContact O-N 3.09Å
693F73.6Confident77.8Confident150 Ų15082.1 Ų82.166%0.65844%0.441SS*.THydrogen-bonded Turntrans-804.1173.5-68.2-59.4000113.8L689 S691 L695L689-F693 HydrophobicContact CB-CD2 4.29Å; L689-F693 HydrophobicContact CB-CE2 4.18Å; L689-F693 HydrophobicContact CD2-CE2 4.14Å; L689-F693 WeakPolarHBondContact O-CB 3.4Å; L689-F693 WeakPolarHBondContact O-CD2 3.1Å; L689-F693 PolarHBondContact O-N 2.99Å; S691-F693 VanDerWaalsContact C-N 3.3Å; S691-F693 PolarHBondContact O-N 2.8Å; F693-L695 HydrophobicContact CB-CD1 4.29Å; F693-L695 HydrophobicContact CB-CG 4.15Å; F693-L695 PolarHBondContact O-N 3.15Å
694G66.1Low78.3Confident66 Ų6680.2 Ų80.268%0.6843%0.428SS*.THydrogen-bonded Turntrans69.711.5-178.900000114.7S690 S691 T692 T696S690-G694 PolarHBondContact O-N 3.47Å; S691-G694 PolarHBondContact O-N 2.96Å; S691-G694 VanDerWaalsContact O-N 3.08Å; T692-G694 PolarHBondContact O-N 3.09Å; G694-T696 VanDerWaalsContact C-N 3.33Å
695L66.4Low78.5Confident137 Ų13782 Ų8272%0.71744%0.439SS*.SBendtrans-78.7-18.5176.6-59.8174.8000112.5S690 F693S690-L695 WeakPolarHBondContact O-CA 3.3Å; S690-L695 WeakPolarHBondContact O-CB 3.46Å; S690-L695 PolarHBondContact O-N 3.39Å; F693-L695 HydrophobicContact CB-CD1 4.29Å; F693-L695 HydrophobicContact CB-CG 4.15Å; F693-L695 PolarHBondContact O-N 3.15Å
696T67.3Low79.4Confident37 Ų3782.1 Ų82.123%0.22744%0.437CS..SBendtrans-146.3117.4-179.5-51.50000110.1S690 S691 G694 L698S690-T696 WeakPolarHBondContact CB-OG1 3.18Å; S690-T696 PolarHBondContact O-N 3.24Å; S691-T696 WeakPolarHBondContact CA-O 3.47Å; S691-T696 WeakPolarHBondContact CB-O 3.23Å; G694-T696 VanDerWaalsContact C-N 3.33Å; T696-L698 PolarHBondContact O-N 3.08Å
697Q75.2Confident80Confident187 Ų18781.4 Ų81.487%0.87443%0.427SS*.PPolyproline II helixtrans-79.2120.3175.7-168161.4-4.100109.9
698L80.4Confident80.6Confident47 Ų4781.1 Ų81.125%0.24643%0.425CS..PPolyproline II helixtrans-76.3144.5173.8-78.2160.4000109.8V687 S691 T696 L811 E814V687-L698 HydrophobicContact CG1-CD2 4.22Å; S691-L698 VanDerWaalsContact CB-CD1 3.41Å; S691-L698 WeakPolarHBondContact OG-CD1 3.39Å; T696-L698 PolarHBondContact O-N 3.08Å; L698-L811 HydrophobicContact CD2-CD2 3.94Å; L698-E814 HydrophobicContact CD2-CG 4.33Å
699R85.1Confident81.6Confident92 Ų9279.7 Ų79.735%0.34743%0.426SS..PPolyproline II helixtrans-62.8135.1170.8-58.1-179.2-173.8904.4109.8L810 W813 E814R699-L810 HydrophobicContact CB-CD1 4.33Å; R699-L810 WeakPolarHBondContact O-CD2 3.45Å; R699-W813 VanDerWaalsContact CD-CH2 3.45Å; R699-W813 VanDerWaalsContact CD-CZ3 3.43Å; R699-E814 IonicContact CZ-OE2 3.81Å; R699-E814 IonicContact NH1-OE2 3.44Å; R699-E814 PolarHBondContact NH1-OE2 2.9Å; R699-E814 IonicContact NH2-OE2 2.97Å
700T82.9Confident82.7Confident118 Ų11877.8 Ų77.872%0.72442%0.417SS*.  trans-108.5157.3174.153.40000109.8
701N87.2Confident83.9Confident35 Ų3576.4 Ų76.419%0.18741%0.406CS..  trans-130.5108.1171.2177.8-50.5000106.4Q703 F704 D705 N850N701-Q703 VanDerWaalsContact C-N 3.35Å; N701-Q703 PolarHBondContact O-N 3.22Å; N701-Q703 PolarHBondContact OD1-N 3.24Å; N701-F704 HydrophobicContact CB-CB 4.01Å; N701-F704 PolarHBondContact O-N 3.01Å; N701-F704 PolarHBondContact OD1-N 3.24Å; N701-D705 VanDerWaalsContact O-CG 3.23Å; N701-D705 PolarHBondContact O-N 3.08Å; N701-N850 PolarHBondContact ND2-ND2 2.78Å
702E87.1Confident84.9Confident147 Ų14778.7 Ų78.769%0.68742%0.416SS*.Hα-helixtrans-62.4-41.3-171.9-170178.9173.800112.3F704 D705 Q706E702-F704 PolarHBondContact O-N 3.5Å; E702-D705 PolarHBondContact O-N 3.39Å; E702-Q706 VanDerWaalsContact O-CG 3.29Å; E702-Q706 WeakPolarHBondContact O-CG 3.37Å; E702-Q706 PolarHBondContact O-N 2.93Å
703Q90.6Very high86.1Confident104 Ų10477.5 Ų77.549%0.48641%0.405SS..Hα-helixtrans-61.2-45176.7-67.3-179.2-1500111.4N701 Q706 C707 I854N701-Q703 VanDerWaalsContact C-N 3.35Å; N701-Q703 PolarHBondContact O-N 3.22Å; N701-Q703 PolarHBondContact OD1-N 3.24Å; Q703-Q706 PolarHBondContact O-N 2.71Å; Q703-C707 PolarHBondContact O-N 2.96Å; Q703-C707 PolarHBondContact O-SG 3.3Å; Q703-C707 VanDerWaalsContact O-SG 3.33Å; Q703-I854 HydrophobicContact CB-CD1 4.5Å
704F92.6Very high87.2Confident2 Ų270.4 Ų70.41%0.00937%0.374CS..Hα-helixtrans-63.5-42.9176179.4-91.3000111.8N701 E702 Q706 C707 V708 I803 R806 L853 I854 L857N701-F704 HydrophobicContact CB-CB 4.01Å; N701-F704 PolarHBondContact O-N 3.01Å; N701-F704 PolarHBondContact OD1-N 3.24Å; E702-F704 PolarHBondContact O-N 3.5Å; F704-Q706 VanDerWaalsContact C-N 3.32Å; F704-Q706 PolarHBondContact O-N 3.32Å; F704-C707 WeakPolarHBondContact O-CB 3.37Å; F704-C707 PolarHBondContact O-N 3.12Å; F704-V708 HydrophobicContact CD1-CG2 3.82Å; F704-V708 HydrophobicContact CE1-CB 4.44Å; F704-V708 HydrophobicContact CE1-CG2 3.26Å; F704-V708 HydrophobicContact CE2-CG2 4.06Å; F704-V708 HydrophobicContact CG-CG2 4.46Å; F704-V708 HydrophobicContact CZ-CG2 3.39Å; F704-V708 WeakPolarHBondContact O-CG2 3.45Å; F704-V708 PolarHBondContact O-N 3.28Å; F704-I803 HydrophobicContact CZ-CG1 4.17Å; F704-I803 HydrophobicContact CZ-CG2 4.13Å; F704-R806 VanDerWaalsContact CE1-CZ 3.46Å; F704-R806 VanDerWaalsContact CG-CZ 3.42Å; F704-L853 HydrophobicContact CE2-CB 4.07Å; F704-L853 HydrophobicContact CE2-CD1 4.37Å; F704-I854 HydrophobicContact CB-CD1 4.29Å; F704-I854 HydrophobicContact CB-CG1 4.23Å; F704-I854 HydrophobicContact CD2-CG1 4.08Å; F704-L857 HydrophobicContact CE2-CD1 4.03Å
705D91.9Very high88.7Confident62 Ų6269.1 Ų69.133%0.33235%0.353SS..Hα-helixtrans-65-38.3-179.5-66.7-29.8000111N701 E702 V708 N709N701-D705 VanDerWaalsContact O-CG 3.23Å; N701-D705 PolarHBondContact O-N 3.08Å; E702-D705 PolarHBondContact O-N 3.39Å; D705-V708 PolarHBondContact O-N 2.96Å; D705-N709 VanDerWaalsContact O-CG 3.24Å; D705-N709 PolarHBondContact O-N 2.9Å; D705-N709 PolarHBondContact O-ND2 3.41Å
706Q93Very high90.1Very high88 Ų8866.1 Ų66.141%0.41134%0.343SS..Hα-helixtrans-60.1-47.9170.2-70.6174.315.300111.8E702 Q703 F704 V708 N709 L710E702-Q706 VanDerWaalsContact O-CG 3.29Å; E702-Q706 WeakPolarHBondContact O-CG 3.37Å; E702-Q706 PolarHBondContact O-N 2.93Å; Q703-Q706 PolarHBondContact O-N 2.71Å; F704-Q706 VanDerWaalsContact C-N 3.32Å; F704-Q706 PolarHBondContact O-N 3.32Å; Q706-V708 VanDerWaalsContact C-N 3.31Å; Q706-V708 PolarHBondContact O-N 3.35Å; Q706-N709 PolarHBondContact O-N 3.43Å; Q706-L710 PolarHBondContact O-N 3.14Å
707C92.8Very high91.5Very high23 Ų2368.6 Ų68.616%0.15535%0.351CS..Hα-helixtrans-61.2-37.7176.4-69.40000112.8Q703 F704 F711 L857Q703-C707 PolarHBondContact O-N 2.96Å; Q703-C707 PolarHBondContact O-SG 3.3Å; Q703-C707 VanDerWaalsContact O-SG 3.33Å; F704-C707 WeakPolarHBondContact O-CB 3.37Å; F704-C707 PolarHBondContact O-N 3.12Å; C707-F711 WeakPolarHBondContact O-CB 3.42Å; C707-F711 PolarHBondContact O-N 2.96Å; C707-L857 HydrophobicContact CB-CB 4.1Å; C707-L857 HydrophobicContact CB-CD1 3.94Å
708V94.8Very high92.5Very high9 Ų959.8 Ų59.86%0.05531%0.31CS..Hα-helixtrans-69.8-37.7177.4168.30000111.8F704 D705 Q706 F711 N712 I803 L857F704-V708 HydrophobicContact CD1-CG2 3.82Å; F704-V708 HydrophobicContact CE1-CB 4.44Å; F704-V708 HydrophobicContact CE1-CG2 3.26Å; F704-V708 HydrophobicContact CE2-CG2 4.06Å; F704-V708 HydrophobicContact CG-CG2 4.46Å; F704-V708 HydrophobicContact CZ-CG2 3.39Å; F704-V708 WeakPolarHBondContact O-CG2 3.45Å; F704-V708 PolarHBondContact O-N 3.28Å; D705-V708 PolarHBondContact O-N 2.96Å; Q706-V708 VanDerWaalsContact C-N 3.31Å; Q706-V708 PolarHBondContact O-N 3.35Å; V708-F711 WeakPolarHBondContact O-CB 3.39Å; V708-F711 PolarHBondContact O-N 3.33Å; V708-N712 PolarHBondContact O-N 3.09Å; V708-N712 PolarHBondContact O-ND2 3.01Å; V708-N712 VanDerWaalsContact O-ND2 3.1Å; V708-I803 HydrophobicContact CG2-CD1 4.08Å; V708-I803 HydrophobicContact CG2-CG1 4.33Å; V708-I803 HydrophobicContact CG2-CG2 4.37Å; V708-L857 HydrophobicContact CG2-CD1 4.13Å
709N94.4Very high93.1Very high96 Ų9660.8 Ų60.851%0.51332%0.316SS..Hα-helixtrans-61.8-47.9174.4-70-26.5000110.8D705 Q706 F711 N712 D713D705-N709 VanDerWaalsContact O-CG 3.24Å; D705-N709 PolarHBondContact O-N 2.9Å; D705-N709 PolarHBondContact O-ND2 3.41Å; Q706-N709 PolarHBondContact O-N 3.43Å; N709-F711 VanDerWaalsContact C-N 3.32Å; N709-F711 PolarHBondContact O-N 3.47Å; N709-N712 PolarHBondContact O-N 3.42Å; N709-N712 VanDerWaalsContact O-N 3.14Å; N709-D713 PolarHBondContact O-N 3.46Å
710L95.3Very high93.6Very high56 Ų5659.1 Ų59.129%0.29332%0.321SS..Hα-helixtrans-58.2-43.4174.2-70.2171.9000112.2Q706 N712 D713 D714 I929Q706-L710 PolarHBondContact O-N 3.14Å; L710-N712 VanDerWaalsContact C-N 3.34Å; L710-N712 PolarHBondContact O-N 3.47Å; L710-D713 WeakPolarHBondContact O-CB 3.47Å; L710-D713 PolarHBondContact O-N 2.88Å; L710-D714 VanDerWaalsContact O-CG 3.24Å; L710-D714 PolarHBondContact O-N 3.31Å; L710-I929 HydrophobicContact CD1-CD1 3.87Å
711F97.4Very high94.2Very high10 Ų1054 Ų544%0.04429%0.289CS..Hα-helixtrans-59.8-42.5175.6168.7-96.7000112.7C707 V708 N709 D713 D714 V715 A796 L799 A800 I803 L857 F860C707-F711 WeakPolarHBondContact O-CB 3.42Å; C707-F711 PolarHBondContact O-N 2.96Å; V708-F711 WeakPolarHBondContact O-CB 3.39Å; V708-F711 PolarHBondContact O-N 3.33Å; N709-F711 VanDerWaalsContact C-N 3.32Å; N709-F711 PolarHBondContact O-N 3.47Å; F711-D713 VanDerWaalsContact C-N 3.33Å; F711-D714 PolarHBondContact O-N 2.85Å; F711-V715 HydrophobicContact CD1-CG2 4.4Å; F711-V715 HydrophobicContact CD2-CG2 4.39Å; F711-V715 HydrophobicContact CE1-CG2 3.93Å; F711-V715 HydrophobicContact CE2-CG2 3.91Å; F711-V715 HydrophobicContact CZ-CG2 3.66Å; F711-V715 VanDerWaalsContact O-CG2 3.31Å; F711-V715 WeakPolarHBondContact O-CG2 3.23Å; F711-V715 PolarHBondContact O-N 3.4Å; F711-A796 HydrophobicContact CE2-CB 4.19Å; F711-A796 HydrophobicContact CZ-CB 4.33Å; F711-A796 WeakPolarHBondContact CZ-O 3.48Å; F711-L799 HydrophobicContact CE2-CB 3.86Å; F711-L799 HydrophobicContact CE2-CD1 4.28Å; F711-L799 HydrophobicContact CZ-CB 4.27Å; F711-A800 HydrophobicContact CE1-CB 4.35Å; F711-A800 HydrophobicContact CZ-CB 4.15Å; F711-I803 HydrophobicContact CD1-CD1 3.71Å; F711-I803 HydrophobicContact CE1-CD1 3.81Å; F711-I803 HydrophobicContact CG-CD1 4.27Å; F711-I803 HydrophobicContact CZ-CD1 4.43Å; F711-L857 HydrophobicContact CB-CD2 3.93Å; F711-L857 HydrophobicContact CD2-CD2 3.7Å; F711-L857 HydrophobicContact CE2-CD2 4.43Å; F711-L857 HydrophobicContact CG-CD2 3.85Å; F711-F860 AromaticContact CD2-CD1 3.73Å; F711-F860 HydrophobicContact CD2-CD1 3.73Å; F711-F860 AromaticContact CD2-CE1 3.73Å; F711-F860 HydrophobicContact CD2-CE1 3.73Å; F711-F860 HydrophobicContact CE2-CD1 4.1Å; F711-F860 AromaticContact CE2-CE1 3.8Å; F711-F860 HydrophobicContact CE2-CE1 3.8Å; F711-F860 HydrophobicContact CE2-CZ 4.46Å
712N96.6Very high94.6Very high75 Ų7553.7 Ų53.740%0.40129%0.29SS..Hα-helixtrans-66.2-37.6177.8-67.7-35000111.6V708 N709 L710 S716V708-N712 PolarHBondContact O-N 3.09Å; V708-N712 PolarHBondContact O-ND2 3.01Å; V708-N712 VanDerWaalsContact O-ND2 3.1Å; N709-N712 PolarHBondContact O-N 3.42Å; N709-N712 VanDerWaalsContact O-N 3.14Å; L710-N712 VanDerWaalsContact C-N 3.34Å; L710-N712 PolarHBondContact O-N 3.47Å; N712-S716 WeakPolarHBondContact O-CB 3.16Å; N712-S716 PolarHBondContact O-N 3.47Å; N712-S716 PolarHBondContact O-OG 3.37Å
713D97.3Very high94.8Very high87 Ų8753 Ų5347%0.46529%0.287SS..Hα-helixtrans-63.5-44.5173.6-68.5-17.6000110.9N709 L710 F711 S716 K717N709-D713 PolarHBondContact O-N 3.46Å; L710-D713 WeakPolarHBondContact O-CB 3.47Å; L710-D713 PolarHBondContact O-N 2.88Å; F711-D713 VanDerWaalsContact C-N 3.33Å; D713-S716 WeakPolarHBondContact O-CB 3.48Å; D713-S716 PolarHBondContact O-N 3.42Å; D713-K717 WeakPolarHBondContact O-CG 3.37Å; D713-K717 PolarHBondContact O-N 3.43Å
714D97.4Very high94.9Very high1 Ų149.8 Ų49.81%0.00527%0.271CS..Hα-helixtrans-63-43.7177.5-70-22.4000112.3L710 F711 S716 K717 I718 F860 H861 V864L710-D714 VanDerWaalsContact O-CG 3.24Å; L710-D714 PolarHBondContact O-N 3.31Å; F711-D714 PolarHBondContact O-N 2.85Å; D714-S716 VanDerWaalsContact C-N 3.26Å; D714-S716 PolarHBondContact O-N 3.39Å; D714-K717 PolarHBondContact O-N 3.14Å; D714-K717 IonicContact OD1-NZ 2.73Å; D714-I718 WeakPolarHBondContact O-CD1 3.4Å; D714-I718 WeakPolarHBondContact O-CG1 3.26Å; D714-I718 PolarHBondContact O-N 3.21Å; D714-F860 HydrophobicContact CB-CE1 4.36Å; D714-H861 VanDerWaalsContact CG-ND1 3.28Å; D714-H861 IonicContact OD1-CE1 3.9Å; D714-H861 IonicContact OD1-ND1 3.51Å; D714-H861 PolarHBondContact OD1-ND1 3.42Å; D714-H861 VanDerWaalsContact OD1-ND1 3.09Å; D714-H861 WeakPolarHBondContact OD2-CA 3.41Å; D714-H861 WeakPolarHBondContact OD2-CB 3.46Å; D714-H861 IonicContact OD2-CE1 3.1Å; D714-H861 IonicContact OD2-CG 3.33Å; D714-H861 IonicContact OD2-ND1 3.12Å; D714-H861 PolarHBondContact OD2-ND1 2.99Å; D714-V864 HydrophobicContact CB-CB 4.45Å; D714-V864 HydrophobicContact CB-CG1 4.11Å; D714-V864 HydrophobicContact CB-CG2 4.35Å
715V96.6Very high95Very high38 Ų3850 Ų5023%0.2327%0.273CS..Hα-helixtrans-58.8-42.1173.7169.90000110.8F711 I718 N719 A796F711-V715 HydrophobicContact CD1-CG2 4.4Å; F711-V715 HydrophobicContact CD2-CG2 4.39Å; F711-V715 HydrophobicContact CE1-CG2 3.93Å; F711-V715 HydrophobicContact CE2-CG2 3.91Å; F711-V715 HydrophobicContact CZ-CG2 3.66Å; F711-V715 VanDerWaalsContact O-CG2 3.31Å; F711-V715 WeakPolarHBondContact O-CG2 3.23Å; F711-V715 PolarHBondContact O-N 3.4Å; V715-I718 PolarHBondContact O-N 2.85Å; V715-N719 VanDerWaalsContact O-CG 3.3Å; V715-N719 PolarHBondContact O-N 2.91Å; V715-N719 VanDerWaalsContact O-N 3.09Å; V715-N719 PolarHBondContact O-ND2 2.77Å; V715-N719 VanDerWaalsContact O-ND2 3.14Å; V715-A796 HydrophobicContact CG2-CB 3.96Å
716S96.1Very high94.9Very high74 Ų7453.5 Ų53.552%0.51729%0.287SS..Hα-helixtrans-63.7-44.2176.9-58.80000111.5N712 D713 D714 N719 A720N712-S716 WeakPolarHBondContact O-CB 3.16Å; N712-S716 PolarHBondContact O-N 3.47Å; N712-S716 PolarHBondContact O-OG 3.37Å; D713-S716 WeakPolarHBondContact O-CB 3.48Å; D713-S716 PolarHBondContact O-N 3.42Å; D714-S716 VanDerWaalsContact C-N 3.26Å; D714-S716 PolarHBondContact O-N 3.39Å; S716-N719 PolarHBondContact O-N 3.07Å; S716-A720 WeakPolarHBondContact O-CB 3.32Å; S716-A720 PolarHBondContact O-N 2.91Å
717K96.5Very high94.9Very high90 Ų9052.8 Ų52.839%0.39129%0.292SS..Hα-helixtrans-61.7-44.9176-70.7169.8-169.7165.70112.5D713 D714 N719 A720 F721 L868D713-K717 WeakPolarHBondContact O-CG 3.37Å; D713-K717 PolarHBondContact O-N 3.43Å; D714-K717 PolarHBondContact O-N 3.14Å; D714-K717 IonicContact OD1-NZ 2.73Å; K717-N719 VanDerWaalsContact C-N 3.32Å; K717-N719 PolarHBondContact O-N 3.06Å; K717-A720 PolarHBondContact O-N 3.28Å; K717-F721 WeakPolarHBondContact O-CB 3.42Å; K717-F721 PolarHBondContact O-N 3.46Å; K717-L868 HydrophobicContact CB-CD1 4.25Å
718I96.1Very high94.9Very high1 Ų152.9 Ų52.91%0.00529%0.292CS..Hα-helixtrans-59.3-45.3177.4-67.6161.5000110.5D714 V715 F721 S722 T789 L792 Q793 F860 V864 L868D714-I718 WeakPolarHBondContact O-CD1 3.4Å; D714-I718 WeakPolarHBondContact O-CG1 3.26Å; D714-I718 PolarHBondContact O-N 3.21Å; V715-I718 PolarHBondContact O-N 2.85Å; I718-F721 PolarHBondContact O-N 2.82Å; I718-S722 WeakPolarHBondContact O-CB 3.4Å; I718-S722 PolarHBondContact O-N 3.1Å; I718-T789 HydrophobicContact CG2-CG2 3.92Å; I718-L792 HydrophobicContact CD1-CB 4.05Å; I718-Q793 HydrophobicContact CG2-CG 3.42Å; I718-Q793 VanDerWaalsContact CG2-CG 3.42Å; I718-F860 HydrophobicContact CD1-CZ 4.02Å; I718-V864 HydrophobicContact CD1-CG1 4.05Å; I718-V864 HydrophobicContact CD1-CG2 3.77Å; I718-V864 HydrophobicContact CG1-CG1 3.86Å; I718-V864 HydrophobicContact CG1-CG2 4.46Å; I718-L868 HydrophobicContact CG1-CD1 4.18Å; I718-L868 HydrophobicContact CG1-CD2 4.48Å
719N94.1Very high94.7Very high69 Ų6954.3 Ų54.337%0.36930%0.299SS..Hα-helixtrans-67.5-43.2179.8-70.5-30000111.8V715 S716 K717 S722 Q723 Q793V715-N719 VanDerWaalsContact O-CG 3.3Å; V715-N719 PolarHBondContact O-N 2.91Å; V715-N719 VanDerWaalsContact O-N 3.09Å; V715-N719 PolarHBondContact O-ND2 2.77Å; V715-N719 VanDerWaalsContact O-ND2 3.14Å; S716-N719 PolarHBondContact O-N 3.07Å; K717-N719 VanDerWaalsContact C-N 3.32Å; K717-N719 PolarHBondContact O-N 3.06Å; N719-S722 PolarHBondContact O-N 3.32Å; N719-Q723 WeakPolarHBondContact O-CG 3.48Å; N719-Q723 PolarHBondContact O-N 3.21Å; N719-Q793 PolarHBondContact OD1-NE2 2.93Å
720A95.1Very high94.6Very high56 Ų5651.6 Ų51.646%0.46329%0.294SS..Hα-helixtrans-60.8-44175.300000111.7S716 K717 Q723 H724S716-A720 WeakPolarHBondContact O-CB 3.32Å; S716-A720 PolarHBondContact O-N 2.91Å; K717-A720 PolarHBondContact O-N 3.28Å; A720-Q723 PolarHBondContact O-N 3.46Å; A720-H724 WeakPolarHBondContact O-CB 3.44Å; A720-H724 PolarHBondContact O-N 3.38Å
721F96.3Very high94.4Very high10 Ų1053 Ų534%0.04431%0.305CS..Hα-helixtrans-61.8-44.8175.7-177.5-102000111.7K717 I718 Q723 H724 V725 V785 T789 L868 A871 R872K717-F721 WeakPolarHBondContact O-CB 3.42Å; K717-F721 PolarHBondContact O-N 3.46Å; I718-F721 PolarHBondContact O-N 2.82Å; F721-Q723 VanDerWaalsContact C-N 3.32Å; F721-Q723 PolarHBondContact O-N 2.96Å; F721-H724 WeakPolarHBondContact O-CB 3.48Å; F721-H724 PolarHBondContact O-N 3.15Å; F721-V725 HydrophobicContact CD1-CG2 4.05Å; F721-V725 HydrophobicContact CE1-CG2 3.68Å; F721-V725 HydrophobicContact CE2-CG2 4.36Å; F721-V725 HydrophobicContact CZ-CG2 3.85Å; F721-V725 VanDerWaalsContact O-CG2 3.31Å; F721-V725 WeakPolarHBondContact O-CG2 3.26Å; F721-V725 PolarHBondContact O-N 3.36Å; F721-V785 HydrophobicContact CE1-CG1 3.68Å; F721-V785 HydrophobicContact CZ-CG1 3.86Å; F721-T789 HydrophobicContact CD1-CG2 4.21Å; F721-L868 HydrophobicContact CB-CD2 4.11Å; F721-L868 HydrophobicContact CD1-CD2 3.68Å; F721-L868 HydrophobicContact CE1-CD2 4.29Å; F721-L868 HydrophobicContact CG-CD2 3.93Å; F721-A871 HydrophobicContact CE1-CB 3.82Å; F721-A871 HydrophobicContact CZ-CB 3.9Å; F721-R872 HydrophobicContact CE2-CB 4.03Å; F721-R872 HydrophobicContact CZ-CB 4.4Å
722S93.9Very high94Very high30 Ų3052.9 Ų52.921%0.2131%0.305CS..Hα-helixtrans-60-40.3176.7-174.70000112.6I718 N719 Q726I718-S722 WeakPolarHBondContact O-CB 3.4Å; I718-S722 PolarHBondContact O-N 3.1Å; N719-S722 PolarHBondContact O-N 3.32Å; S722-Q726 WeakPolarHBondContact O-CG 3.31Å; S722-Q726 PolarHBondContact O-N 3.39Å
723Q92.6Very high93.6Very high133 Ų13351.1 Ų51.162%0.62130%0.296SS*.Hα-helixtrans-67.8-40.8175.5-71.21765.200111.4N719 A720 F721 Q726 S727N719-Q723 WeakPolarHBondContact O-CG 3.48Å; N719-Q723 PolarHBondContact O-N 3.21Å; A720-Q723 PolarHBondContact O-N 3.46Å; F721-Q723 VanDerWaalsContact C-N 3.32Å; F721-Q723 PolarHBondContact O-N 2.96Å; Q723-Q726 PolarHBondContact O-N 3.36Å; Q723-S727 WeakPolarHBondContact O-CB 3.28Å; Q723-S727 PolarHBondContact O-N 2.93Å
724H92Very high93.2Very high35 Ų3550.7 Ų50.716%0.16230%0.299CS..Hα-helixtrans-61.4-44.8176178.8-147.9000111.6A720 F721 Q726 S727 T728A720-H724 WeakPolarHBondContact O-CB 3.44Å; A720-H724 PolarHBondContact O-N 3.38Å; F721-H724 WeakPolarHBondContact O-CB 3.48Å; F721-H724 PolarHBondContact O-N 3.15Å; H724-Q726 VanDerWaalsContact C-N 3.34Å; H724-Q726 PolarHBondContact O-N 3.13Å; H724-S727 PolarHBondContact O-N 2.91Å; H724-T728 PolarHBondContact CD2-OG1 2.97Å; H724-T728 PolarHBondContact NE2-OG1 2.91Å; H724-T728 VanDerWaalsContact NE2-OG1 3.13Å; H724-T728 WeakPolarHBondContact O-CB 3.46Å; H724-T728 PolarHBondContact O-N 3.34Å; H724-T728 PolarHBondContact O-OG1 2.96Å
725V94.4Very high92.7Very high7 Ų752.3 Ų52.34%0.04231%0.309CS..Hα-helixtrans-56.4-48.6174.8172.10000111F721 S727 T728 I729 V781 V785 L875F721-V725 HydrophobicContact CD1-CG2 4.05Å; F721-V725 HydrophobicContact CE1-CG2 3.68Å; F721-V725 HydrophobicContact CE2-CG2 4.36Å; F721-V725 HydrophobicContact CZ-CG2 3.85Å; F721-V725 VanDerWaalsContact O-CG2 3.31Å; F721-V725 WeakPolarHBondContact O-CG2 3.26Å; F721-V725 PolarHBondContact O-N 3.36Å; V725-S727 VanDerWaalsContact C-N 3.34Å; V725-S727 PolarHBondContact O-N 2.88Å; V725-T728 PolarHBondContact O-N 3.41Å; V725-I729 HydrophobicContact CG1-CD1 3.85Å; V725-I729 VanDerWaalsContact O-CG1 3.29Å; V725-I729 WeakPolarHBondContact O-CG1 3.46Å; V725-I729 PolarHBondContact O-N 2.92Å; V725-V781 HydrophobicContact CG1-CG1 4.01Å; V725-V785 HydrophobicContact CG1-CG1 4.16Å; V725-V785 HydrophobicContact CG2-CG1 3.6Å; V725-L875 HydrophobicContact CG2-CD2 4Å
726Q91.1Very high92.2Very high135 Ų13550.8 Ų50.863%0.63130%0.299SS*.Hα-helixtrans-60.9-43.1177.8-72.3175.4-17.600112S722 Q723 H724 G730S722-Q726 WeakPolarHBondContact O-CG 3.31Å; S722-Q726 PolarHBondContact O-N 3.39Å; Q723-Q726 PolarHBondContact O-N 3.36Å; H724-Q726 VanDerWaalsContact C-N 3.34Å; H724-Q726 PolarHBondContact O-N 3.13Å; Q726-G730 PolarHBondContact O-N 2.93Å
727S93.1Very high91.7Very high74 Ų7451.9 Ų51.952%0.51730%0.3SS..Hα-helixtrans-63.3-48.9177.4-170.90000111.7Q723 H724 V725 G730 T731Q723-S727 WeakPolarHBondContact O-CB 3.28Å; Q723-S727 PolarHBondContact O-N 2.93Å; H724-S727 PolarHBondContact O-N 2.91Å; V725-S727 VanDerWaalsContact C-N 3.34Å; V725-S727 PolarHBondContact O-N 2.88Å; S727-G730 PolarHBondContact O-N 3.37Å; S727-G730 VanDerWaalsContact O-N 3.17Å; S727-T731 PolarHBondContact O-N 2.98Å; S727-T731 PolarHBondContact O-OG1 3.33Å; S727-T731 VanDerWaalsContact O-OG1 3.1Å
728T91.8Very high91.1Very high24 Ų2450.4 Ų50.415%0.14730%0.304CS..Hα-helixtrans-64-44.7-176.1-63.40000112H724 V725 G730 T731 A732 M879H724-T728 PolarHBondContact CD2-OG1 2.97Å; H724-T728 PolarHBondContact NE2-OG1 2.91Å; H724-T728 VanDerWaalsContact NE2-OG1 3.13Å; H724-T728 WeakPolarHBondContact O-CB 3.46Å; H724-T728 PolarHBondContact O-N 3.34Å; H724-T728 PolarHBondContact O-OG1 2.96Å; V725-T728 PolarHBondContact O-N 3.41Å; T728-G730 VanDerWaalsContact C-N 3.35Å; T728-T731 PolarHBondContact O-N 3.43Å; T728-A732 WeakPolarHBondContact O-CB 3.48Å; T728-A732 PolarHBondContact O-N 3.03Å; T728-M879 HydrophobicContact CG2-CE 4.3Å; T728-M879 HydrophobicContact CG2-CG 4.14Å; T728-M879 HydrophobicContact CG2-SD 4.21Å
729I91.7Very high90.3Very high39 Ų3952.4 Ų52.420%0.231%0.313CS..Hα-helixtrans-63.8-43.7173.6-61168.6000110.1V725 T731 A732 M733 V781V725-I729 HydrophobicContact CG1-CD1 3.85Å; V725-I729 VanDerWaalsContact O-CG1 3.29Å; V725-I729 WeakPolarHBondContact O-CG1 3.46Å; V725-I729 PolarHBondContact O-N 2.92Å; I729-T731 VanDerWaalsContact C-N 3.32Å; I729-T731 PolarHBondContact O-N 2.92Å; I729-A732 WeakPolarHBondContact O-CB 3.46Å; I729-A732 PolarHBondContact O-N 2.98Å; I729-A732 VanDerWaalsContact O-N 3.16Å; I729-M733 HydrophobicContact CG2-CE 3.99Å; I729-M733 HydrophobicContact CG2-CG 4.14Å; I729-M733 VanDerWaalsContact O-CG 3.28Å; I729-M733 WeakPolarHBondContact O-CG 3.36Å; I729-M733 PolarHBondContact O-N 2.82Å; I729-V781 HydrophobicContact CD1-CB 4.25Å; I729-V781 HydrophobicContact CD1-CG1 3.42Å; I729-V781 VanDerWaalsContact CD1-CG1 3.42Å; I729-V781 HydrophobicContact CG1-CG1 4.29Å
730G90.9Very high89.5Confident40 Ų4053.5 Ų53.541%0.41231%0.312SS..Hα-helixtrans-56.1-46177.500000112.4Q726 S727 T728 M733 S734Q726-G730 PolarHBondContact O-N 2.93Å; S727-G730 PolarHBondContact O-N 3.37Å; S727-G730 VanDerWaalsContact O-N 3.17Å; T728-G730 VanDerWaalsContact C-N 3.35Å; G730-M733 PolarHBondContact O-N 2.92Å; G730-S734 WeakPolarHBondContact O-CB 3.32Å; G730-S734 PolarHBondContact O-N 2.94Å
731T90.9Very high88.8Confident85 Ų8553.4 Ų53.452%0.52131%0.312SS..Hα-helixtrans-62.6-45.6174.7-58.40000111.5S727 T728 I729 M733 S734 T735S727-T731 PolarHBondContact O-N 2.98Å; S727-T731 PolarHBondContact O-OG1 3.33Å; S727-T731 VanDerWaalsContact O-OG1 3.1Å; T728-T731 PolarHBondContact O-N 3.43Å; I729-T731 VanDerWaalsContact C-N 3.32Å; I729-T731 PolarHBondContact O-N 2.92Å; T731-M733 PolarHBondContact O-N 3Å; T731-S734 WeakPolarHBondContact O-CB 3.32Å; T731-S734 PolarHBondContact O-N 3Å; T731-T735 PolarHBondContact O-N 2.79Å; T731-T735 PolarHBondContact O-OG1 3.03Å
732A89.3Confident88Confident7 Ų758.6 Ų58.66%0.05834%0.337CS..Hα-helixtrans-59-44.9178.500000112.4T728 I729 T735 L736 M879 F882T728-A732 WeakPolarHBondContact O-CB 3.48Å; T728-A732 PolarHBondContact O-N 3.03Å; I729-A732 WeakPolarHBondContact O-CB 3.46Å; I729-A732 PolarHBondContact O-N 2.98Å; I729-A732 VanDerWaalsContact O-N 3.16Å; A732-T735 PolarHBondContact O-N 2.75Å; A732-L736 PolarHBondContact O-N 2.94Å; A732-M879 HydrophobicContact CB-CE 3.65Å; A732-M879 HydrophobicContact CB-SD 4.32Å; A732-F882 HydrophobicContact CB-CD1 4.31Å; A732-F882 HydrophobicContact CB-CE1 3.93Å
733M88.2Confident87Confident39 Ų3957.8 Ų57.819%0.19233%0.331CS..Hα-helixtrans-66.7-39.9177-63.9-58.8171.700111.8I729 G730 T731 T735 L736 N737 V774 L777I729-M733 HydrophobicContact CG2-CE 3.99Å; I729-M733 HydrophobicContact CG2-CG 4.14Å; I729-M733 VanDerWaalsContact O-CG 3.28Å; I729-M733 WeakPolarHBondContact O-CG 3.36Å; I729-M733 PolarHBondContact O-N 2.82Å; G730-M733 PolarHBondContact O-N 2.92Å; T731-M733 PolarHBondContact O-N 3Å; M733-T735 VanDerWaalsContact C-N 3.33Å; M733-T735 PolarHBondContact O-N 3.24Å; M733-L736 PolarHBondContact O-N 2.83Å; M733-N737 WeakPolarHBondContact O-CB 3.48Å; M733-N737 VanDerWaalsContact O-CG 3.28Å; M733-N737 PolarHBondContact O-N 2.87Å; M733-N737 PolarHBondContact O-ND2 3.17Å; M733-V774 HydrophobicContact CE-CG1 3.81Å; M733-V774 HydrophobicContact SD-CG1 3.96Å; M733-V774 HydrophobicContact SD-CG2 4.26Å; M733-L777 HydrophobicContact CE-CD2 4.15Å
734S88.9Confident86.1Confident77 Ų7755.1 Ų55.154%0.53832%0.319SS..Hα-helixtrans-61.5-42.7174.6-171.30000111.5G730 T731 N737 A738G730-S734 WeakPolarHBondContact O-CB 3.32Å; G730-S734 PolarHBondContact O-N 2.94Å; T731-S734 WeakPolarHBondContact O-CB 3.32Å; T731-S734 PolarHBondContact O-N 3Å; S734-N737 PolarHBondContact O-N 3.06Å; S734-A738 WeakPolarHBondContact O-CB 3.5Å; S734-A738 PolarHBondContact O-N 2.91Å
735T87.1Confident85.1Confident35 Ų3556 Ų5622%0.21533%0.333CS..Hα-helixtrans-62.6-47.1176.7-60.10000110.9T731 A732 M733 N737 A738 H739 L886T731-T735 PolarHBondContact O-N 2.79Å; T731-T735 PolarHBondContact O-OG1 3.03Å; A732-T735 PolarHBondContact O-N 2.75Å; M733-T735 VanDerWaalsContact C-N 3.33Å; M733-T735 PolarHBondContact O-N 3.24Å; T735-N737 VanDerWaalsContact C-N 3.34Å; T735-N737 PolarHBondContact O-N 3.15Å; T735-A738 PolarHBondContact O-N 2.87Å; T735-H739 VanDerWaalsContact CG2-CE1 3.46Å; T735-H739 WeakPolarHBondContact CG2-CE1 3.45Å; T735-H739 PolarHBondContact O-N 3.21Å; T735-H739 PolarHBondContact O-ND1 3.1Å; T735-L886 HydrophobicContact CG2-CD2 3.97Å
736L86.1Confident83.8Confident6 Ų660.5 Ų60.53%0.03136%0.356CS..Hα-helixtrans-58-46.3176.3176.661.2000112.1A732 M733 H739 R740 L767 V774 F882 W885 L886A732-L736 PolarHBondContact O-N 2.94Å; M733-L736 PolarHBondContact O-N 2.83Å; L736-H739 PolarHBondContact O-N 3.01Å; L736-R740 WeakPolarHBondContact O-CB 3.49Å; L736-R740 PolarHBondContact O-N 2.76Å; L736-L767 HydrophobicContact CD1-CD2 4.15Å; L736-V774 HydrophobicContact CD2-CG2 3.39Å; L736-F882 HydrophobicContact CB-CZ 4.18Å; L736-F882 HydrophobicContact CD2-CE2 4.47Å; L736-F882 HydrophobicContact CD2-CZ 4.29Å; L736-W885 HydrophobicContact CD1-CH2 4.32Å; L736-W885 HydrophobicContact CD1-CZ3 4.02Å; L736-L886 HydrophobicContact CD1-CD1 3.98Å
737N85.1Confident82.4Confident98 Ų9857 Ų5752%0.52434%0.341SS..Hα-helixtrans-65.3-39.8-179.8-71.8-26.9000112.2M733 S734 T735 H739 R740 A741M733-N737 WeakPolarHBondContact O-CB 3.48Å; M733-N737 VanDerWaalsContact O-CG 3.28Å; M733-N737 PolarHBondContact O-N 2.87Å; M733-N737 PolarHBondContact O-ND2 3.17Å; S734-N737 PolarHBondContact O-N 3.06Å; T735-N737 VanDerWaalsContact C-N 3.34Å; T735-N737 PolarHBondContact O-N 3.15Å; N737-H739 VanDerWaalsContact C-N 3.33Å; N737-H739 PolarHBondContact O-N 3.45Å; N737-R740 PolarHBondContact O-N 3.08Å; N737-A741 PolarHBondContact O-N 3.22Å
738A84.8Confident80.7Confident59 Ų5959.4 Ų59.449%0.48835%0.348SS..Hα-helixtrans-61.6-41.6174.700000111.8S734 T735 A741 M742S734-A738 WeakPolarHBondContact O-CB 3.5Å; S734-A738 PolarHBondContact O-N 2.91Å; T735-A738 PolarHBondContact O-N 2.87Å; A738-A741 PolarHBondContact O-N 3.02Å; A738-M742 PolarHBondContact O-N 3.47Å
739H78.3Confident78.8Confident42 Ų4262.9 Ų62.919%0.19437%0.374CS..Hα-helixtrans-67.6-42176.4-74.491.9000112.3T735 L736 N737 A741 M742 V743T735-H739 VanDerWaalsContact CG2-CE1 3.46Å; T735-H739 WeakPolarHBondContact CG2-CE1 3.45Å; T735-H739 PolarHBondContact O-N 3.21Å; T735-H739 PolarHBondContact O-ND1 3.1Å; L736-H739 PolarHBondContact O-N 3.01Å; N737-H739 VanDerWaalsContact C-N 3.33Å; N737-H739 PolarHBondContact O-N 3.45Å; H739-A741 VanDerWaalsContact C-N 3.31Å; H739-A741 PolarHBondContact O-N 3.23Å; H739-M742 PolarHBondContact O-N 3.1Å; H739-V743 WeakPolarHBondContact O-CG2 3.48Å; H739-V743 PolarHBondContact O-N 3.49Å
740R78.9Confident76.9Confident92 Ų9263.3 Ų63.335%0.34738%0.38SS..Hα-helixtrans-56-48174.5-178.8178179.7153.15.4111.1L736 N737 M742 V743 E744L736-R740 WeakPolarHBondContact O-CB 3.49Å; L736-R740 PolarHBondContact O-N 2.76Å; N737-R740 PolarHBondContact O-N 3.08Å; R740-M742 VanDerWaalsContact C-N 3.34Å; R740-M742 PolarHBondContact O-N 3.27Å; R740-V743 PolarHBondContact O-N 3Å; R740-E744 WeakPolarHBondContact CG-OE1 3.38Å; R740-E744 IonicContact CZ-OE1 2.79Å; R740-E744 IonicContact NE-OE1 3.66Å; R740-E744 PolarHBondContact NE-OE1 3.12Å; R740-E744 IonicContact NH2-OE1 3.25Å; R740-E744 WeakPolarHBondContact O-CB 3.45Å; R740-E744 WeakPolarHBondContact O-CG 3.33Å; R740-E744 PolarHBondContact O-N 3.28Å
741A80.4Confident74.9Confident54 Ų5467.5 Ų67.545%0.44640%0.398SS..Hα-helixtrans-62.6-38.5177.700000112.8N737 A738 H739 A745N737-A741 PolarHBondContact O-N 3.22Å; A738-A741 PolarHBondContact O-N 3.02Å; H739-A741 VanDerWaalsContact C-N 3.31Å; H739-A741 PolarHBondContact O-N 3.23Å; A741-A745 WeakPolarHBondContact O-CB 3.43Å; A741-A745 PolarHBondContact O-N 2.9Å
742M78.1Confident72.9Confident119 Ų11969.5 Ų69.559%0.58641%0.41SS*.Hα-helixtrans-63.9-42.9176.5-175.7-175.7-69.300112.1A738 H739 R740 A745 L746A738-M742 PolarHBondContact O-N 3.47Å; H739-M742 PolarHBondContact O-N 3.1Å; R740-M742 VanDerWaalsContact C-N 3.34Å; R740-M742 PolarHBondContact O-N 3.27Å; M742-A745 PolarHBondContact O-N 3.18Å; M742-L746 WeakPolarHBondContact O-CG 3.32Å; M742-L746 PolarHBondContact O-N 2.96Å
743V72.6Confident70.7Confident13 Ų1373.3 Ų73.38%0.07945%0.45CS..Hα-helixtrans-70.3-39.2179.5173.10000111.3H739 R740 A745 L746 D747 V763 L764 L767H739-V743 WeakPolarHBondContact O-CG2 3.48Å; H739-V743 PolarHBondContact O-N 3.49Å; R740-V743 PolarHBondContact O-N 3Å; V743-A745 VanDerWaalsContact C-N 3.33Å; V743-A745 PolarHBondContact O-N 3.3Å; V743-L746 PolarHBondContact O-N 2.88Å; V743-D747 PolarHBondContact O-N 3.3Å; V743-V763 HydrophobicContact CG1-CG1 4.31Å; V743-V763 HydrophobicContact CG2-CG1 4.33Å; V743-L764 HydrophobicContact CG1-CB 3.92Å; V743-L764 HydrophobicContact CG1-CD1 3.73Å; V743-L764 HydrophobicContact CG1-CG 3.8Å; V743-L767 HydrophobicContact CB-CD1 4.08Å; V743-L767 HydrophobicContact CG1-CD1 4.3Å; V743-L767 HydrophobicContact CG2-CD1 3.75Å
744E73.8Confident68.8Low77 Ų7775.6 Ų75.636%0.3647%0.47SS..Hα-helixtrans-60.5-40.4171.9-72.5170.1-178.300111.5R740 L746 D747 D748R740-E744 WeakPolarHBondContact CG-OE1 3.38Å; R740-E744 IonicContact CZ-OE1 2.79Å; R740-E744 IonicContact NE-OE1 3.66Å; R740-E744 PolarHBondContact NE-OE1 3.12Å; R740-E744 IonicContact NH2-OE1 3.25Å; R740-E744 WeakPolarHBondContact O-CB 3.45Å; R740-E744 WeakPolarHBondContact O-CG 3.33Å; R740-E744 PolarHBondContact O-N 3.28Å; E744-L746 VanDerWaalsContact C-N 3.33Å; E744-L746 PolarHBondContact O-N 3.47Å; E744-D747 WeakPolarHBondContact O-CB 3.32Å; E744-D747 PolarHBondContact O-N 2.93Å; E744-D747 VanDerWaalsContact O-N 3.16Å; E744-D748 PolarHBondContact O-N 3.15Å
745A71.6Confident66.9Low55 Ų5580.7 Ų80.746%0.45549%0.485SS..Hα-helixtrans-67.4-28.8176.700000114.1A741 M742 V743 D747 S749A741-A745 WeakPolarHBondContact O-CB 3.43Å; A741-A745 PolarHBondContact O-N 2.9Å; M742-A745 PolarHBondContact O-N 3.18Å; V743-A745 VanDerWaalsContact C-N 3.33Å; V743-A745 PolarHBondContact O-N 3.3Å; A745-D747 VanDerWaalsContact C-N 3.3Å; A745-S749 PolarHBondContact O-OG 3.38Å
746L67.1Low65.1Low101 Ų10182.2 Ų82.253%0.52949%0.49SS..Hα-helixtrans-70.2-27173.7-72.2170.4000112.3M742 V743 E744M742-L746 WeakPolarHBondContact O-CG 3.32Å; M742-L746 PolarHBondContact O-N 2.96Å; V743-L746 PolarHBondContact O-N 2.88Å; E744-L746 VanDerWaalsContact C-N 3.33Å; E744-L746 PolarHBondContact O-N 3.47Å
747D61.7Low63.8Low60 Ų6084.5 Ų84.532%0.32151%0.507SS..Hα-helixtrans-70.8-48.4177.4-170.529.1000111.7V743 E744 A745 S749 S750 M756 L764V743-D747 PolarHBondContact O-N 3.3Å; E744-D747 WeakPolarHBondContact O-CB 3.32Å; E744-D747 PolarHBondContact O-N 2.93Å; E744-D747 VanDerWaalsContact O-N 3.16Å; A745-D747 VanDerWaalsContact C-N 3.3Å; D747-S749 PolarHBondContact O-N 3.18Å; D747-S749 VanDerWaalsContact O-N 3.14Å; D747-S750 WeakPolarHBondContact O-CB 3.38Å; D747-S750 PolarHBondContact O-N 3.43Å; D747-S750 PolarHBondContact O-OG 3.21Å; D747-M756 HydrophobicContact CB-CE 3.96Å; D747-M756 VanDerWaalsContact CG-CE 3.5Å; D747-M756 WeakPolarHBondContact OD1-CE 3.36Å; D747-L764 HydrophobicContact CB-CD1 3.83Å
748D56.9Low62.6Low125 Ų12584 Ų8467%0.66851%0.511SS*.Hα-helixtrans-58.6-31.9-179.1-78.9-20000113.2E744 S750 T751E744-D748 PolarHBondContact O-N 3.15Å; D748-S750 PolarHBondContact O-N 3.42Å; D748-T751 PolarHBondContact O-OG1 3.43Å
749S52.7Low61.6Low97 Ų9785.3 Ų85.368%0.67850%0.503SS*.G310 helixtrans-71.9-13.9178.6-61.60000113.5A745 D747 T751A745-S749 PolarHBondContact O-OG 3.38Å; D747-S749 PolarHBondContact O-N 3.18Å; D747-S749 VanDerWaalsContact O-N 3.14Å; S749-T751 VanDerWaalsContact C-N 3.33Å; S749-T751 PolarHBondContact O-N 2.96Å
750S51Low60.9Low49 Ų4985 Ų8534%0.34351%0.506SS..G310 helixtrans-87.77.8-175.473.10000115D747 D748 V752D747-S750 WeakPolarHBondContact O-CB 3.38Å; D747-S750 PolarHBondContact O-N 3.43Å; D747-S750 PolarHBondContact O-OG 3.21Å; D748-S750 PolarHBondContact O-N 3.42Å; S750-V752 PolarHBondContact O-N 3.48Å
751T49.6Very low60.2Low128 Ų12881.8 Ų81.879%0.78550%0.499SS*.G310 helixtrans-62.2-4.8175.142.60000114.9D748 S749 G753D748-T751 PolarHBondContact O-OG1 3.43Å; S749-T751 VanDerWaalsContact C-N 3.33Å; S749-T751 PolarHBondContact O-N 2.96Å; T751-G753 PolarHBondContact O-N 2.87Å
752V48.1Very low59.7Low126 Ų12682.5 Ų82.576%0.76450%0.495SS*.THydrogen-bonded Turntrans-95.175.5171.6-1690000110.9S750 S754S750-V752 PolarHBondContact O-N 3.48Å; V752-S754 VanDerWaalsContact C-N 3.29Å; V752-S754 PolarHBondContact O-N 2.96Å
753G43.1Very low59.2Low87 Ų8776.9 Ų76.990%0.89747%0.467SS*.THydrogen-bonded Turntrans63.28.1147.500000120.2T751T751-G753 PolarHBondContact O-N 2.87Å
754S49.9Very low59Low88 Ų8877.8 Ų77.862%0.61547%0.472SS*.SBendtrans-127.9117.1-176.9179.50000109.8V752 M756V752-S754 VanDerWaalsContact C-N 3.29Å; V752-S754 PolarHBondContact O-N 2.96Å; S754-M756 PolarHBondContact O-N 3.28Å; S754-M756 VanDerWaalsContact O-N 3.12Å
755Q48.6Very low58.7Low183 Ų18382.3 Ų82.386%0.85549%0.485SS*.  trans-11.2106.9164.4-62.4-94.3-29.700112.2S757Q755-S757 PolarHBondContact O-N 3.42Å
756M48.7Very low58.7Low67 Ų6783.2 Ų83.233%0.3348%0.483SS..  trans-46.1122160.8-176.8171.1-136.900106.7D747 S754 S758 A761 L764D747-M756 HydrophobicContact CB-CE 3.96Å; D747-M756 VanDerWaalsContact CG-CE 3.5Å; D747-M756 WeakPolarHBondContact OD1-CE 3.36Å; S754-M756 PolarHBondContact O-N 3.28Å; S754-M756 VanDerWaalsContact O-N 3.12Å; M756-S758 PolarHBondContact O-N 3.17Å; M756-A761 HydrophobicContact CG-CB 4.1Å; M756-A761 HydrophobicContact SD-CB 3.6Å; M756-A761 VanDerWaalsContact SD-CB 3.6Å; M756-L764 HydrophobicContact CE-CD1 4.43Å
757S59.3Low58.8Low55 Ų5578.6 Ų78.639%0.38546%0.459SS..  trans-53123.9173.2173.70000106.3Q755 R759 S760 A761Q755-S757 PolarHBondContact O-N 3.42Å; S757-R759 CarbonylContact O-C 3.5Å; S757-R759 PolarHBondContact O-N 2.95Å; S757-R759 WeakPolarHBondContact OG-CB 3.22Å; S757-R759 PolarHBondContact OG-N 3.13Å; S757-S760 PolarHBondContact O-N 2.77Å; S757-A761 PolarHBondContact O-N 3.26Å
758S60.1Low59.2Low86 Ų8678.5 Ų78.560%0.60146%0.463SS*.Hα-helixtrans-45.6-29.3175.71760000111.2M756 N762M756-S758 PolarHBondContact O-N 3.17Å; S758-N762 WeakPolarHBondContact O-CB 3.34Å; S758-N762 PolarHBondContact O-N 2.98Å; S758-N762 PolarHBondContact O-ND2 2.69Å; S758-N762 PolarHBondContact O-OD1 3.09Å
759R62.6Low59.6Low87 Ų8776.4 Ų76.433%0.32846%0.457SS..Hα-helixtrans-63-53.7172.9-58.2-174.417713514113.8S757 A761 N762 V763 S895 D897S757-R759 CarbonylContact O-C 3.5Å; S757-R759 PolarHBondContact O-N 2.95Å; S757-R759 WeakPolarHBondContact OG-CB 3.22Å; S757-R759 PolarHBondContact OG-N 3.13Å; R759-A761 VanDerWaalsContact C-N 3.28Å; R759-A761 PolarHBondContact O-N 3.43Å; R759-N762 WeakPolarHBondContact O-CB 3.4Å; R759-N762 PolarHBondContact O-N 2.89Å; R759-V763 WeakPolarHBondContact O-CG2 3.32Å; R759-V763 PolarHBondContact O-N 3.43Å; R759-S895 PolarHBondContact NH1-O 3.29Å; R759-D897 IonicContact CZ-OD1 2.71Å; R759-D897 VanDerWaalsContact CZ-OD1 3.25Å; R759-D897 IonicContact CZ-OD2 2.74Å; R759-D897 VanDerWaalsContact NH1-CG 3.3Å; R759-D897 IonicContact NH1-OD1 3.31Å; R759-D897 PolarHBondContact NH1-OD1 2.86Å; R759-D897 IonicContact NH1-OD2 3.92Å; R759-D897 IonicContact NH2-OD1 3.35Å; R759-D897 PolarHBondContact NH2-OD1 3.14Å; R759-D897 IonicContact NH2-OD2 2.88Å
760S63.6Low60.8Low37 Ų3772.1 Ų72.126%0.25943%0.427SS..Hα-helixtrans-59.8-40.8179.2-55.20000111.6S757 N762 V763 L764S757-S760 PolarHBondContact O-N 2.77Å; S760-N762 VanDerWaalsContact C-N 3.33Å; S760-N762 PolarHBondContact O-N 3.43Å; S760-V763 PolarHBondContact O-N 2.96Å; S760-L764 WeakPolarHBondContact O-CB 3.25Å; S760-L764 PolarHBondContact O-N 3.45Å
761A65.6Low62.2Low23 Ų2372.8 Ų72.819%0.1943%0.432CS..Hα-helixtrans-61-40.9174.100000112.2M756 S757 R759 R765M756-A761 HydrophobicContact CG-CB 4.1Å; M756-A761 HydrophobicContact SD-CB 3.6Å; M756-A761 VanDerWaalsContact SD-CB 3.6Å; S757-A761 PolarHBondContact O-N 3.26Å; R759-A761 VanDerWaalsContact C-N 3.28Å; R759-A761 PolarHBondContact O-N 3.43Å; A761-R765 WeakPolarHBondContact O-CB 3.43Å; A761-R765 WeakPolarHBondContact O-CG 3.39Å; A761-R765 PolarHBondContact O-N 2.98Å
762N68.4Low63.8Low69 Ų6971.2 Ų71.237%0.36942%0.422SS..Hα-helixtrans-67.3-40.7177.7-70.7-23.1000112S758 R759 S760 R765 N766S758-N762 WeakPolarHBondContact O-CB 3.34Å; S758-N762 PolarHBondContact O-N 2.98Å; S758-N762 PolarHBondContact O-ND2 2.69Å; S758-N762 PolarHBondContact O-OD1 3.09Å; R759-N762 WeakPolarHBondContact O-CB 3.4Å; R759-N762 PolarHBondContact O-N 2.89Å; S760-N762 VanDerWaalsContact C-N 3.33Å; S760-N762 PolarHBondContact O-N 3.43Å; N762-R765 PolarHBondContact O-N 3.41Å; N762-N766 WeakPolarHBondContact O-CB 3.34Å; N762-N766 VanDerWaalsContact O-CG 3.25Å; N762-N766 PolarHBondContact O-N 2.97Å; N762-N766 PolarHBondContact O-OD1 3.4Å
763V68.9Low65.6Low1 Ų167.1 Ų67.11%0.00640%0.397CS..Hα-helixtrans-64-45.6176176.90000111.2V743 R759 S760 R765 N766 L767 S892 V893V743-V763 HydrophobicContact CG1-CG1 4.31Å; V743-V763 HydrophobicContact CG2-CG1 4.33Å; R759-V763 WeakPolarHBondContact O-CG2 3.32Å; R759-V763 PolarHBondContact O-N 3.43Å; S760-V763 PolarHBondContact O-N 2.96Å; V763-R765 VanDerWaalsContact C-N 3.28Å; V763-R765 PolarHBondContact O-N 3.06Å; V763-N766 PolarHBondContact O-N 3.17Å; V763-N766 VanDerWaalsContact O-N 3.15Å; V763-L767 HydrophobicContact CG1-CD1 3.76Å; V763-L767 HydrophobicContact CG1-CG 4.17Å; V763-L767 WeakPolarHBondContact O-CB 3.28Å; V763-L767 WeakPolarHBondContact O-CG 3.05Å; V763-L767 PolarHBondContact O-N 3.36Å; V763-S892 WeakPolarHBondContact CG2-OG 3.34Å; V763-V893 HydrophobicContact CB-CG2 4.02Å; V763-V893 HydrophobicContact CG1-CG2 3.72Å; V763-V893 HydrophobicContact CG2-CG2 3.67Å
764L67.7Low67.8Low32 Ų3264.5 Ų64.517%0.16836%0.363CS..Hα-helixtrans-62.5-39.2178.4-147.9147000110.4V743 D747 M756 S760 S768V743-L764 HydrophobicContact CG1-CB 3.92Å; V743-L764 HydrophobicContact CG1-CD1 3.73Å; V743-L764 HydrophobicContact CG1-CG 3.8Å; D747-L764 HydrophobicContact CB-CD1 3.83Å; M756-L764 HydrophobicContact CE-CD1 4.43Å; S760-L764 WeakPolarHBondContact O-CB 3.25Å; S760-L764 PolarHBondContact O-N 3.45Å; L764-S768 WeakPolarHBondContact O-CB 3.41Å; L764-S768 PolarHBondContact O-N 3.41Å; L764-S768 PolarHBondContact O-OG 3.14Å
765R67.3Low69.6Low172 Ų17266.4 Ų66.465%0.64936%0.362SS*.Hα-helixtrans-63.5-44.9171.1-78.4179.2-178.9154.81113.1A761 N762 V763 S768 C769A761-R765 WeakPolarHBondContact O-CB 3.43Å; A761-R765 WeakPolarHBondContact O-CG 3.39Å; A761-R765 PolarHBondContact O-N 2.98Å; N762-R765 PolarHBondContact O-N 3.41Å; V763-R765 VanDerWaalsContact C-N 3.28Å; V763-R765 PolarHBondContact O-N 3.06Å; R765-S768 WeakPolarHBondContact O-CB 2.95Å; R765-S768 PolarHBondContact O-N 3.16Å; R765-C769 WeakPolarHBondContact O-CB 3.33Å; R765-C769 PolarHBondContact O-N 3.34Å
766N71.3Confident71.5Confident75 Ų7562.8 Ų62.840%0.40135%0.345SS..Hα-helixtrans-64.8-43.7179.1-72.2-9000111.6N762 V763 C769 S770 Q889N762-N766 WeakPolarHBondContact O-CB 3.34Å; N762-N766 VanDerWaalsContact O-CG 3.25Å; N762-N766 PolarHBondContact O-N 2.97Å; N762-N766 PolarHBondContact O-OD1 3.4Å; V763-N766 PolarHBondContact O-N 3.17Å; V763-N766 VanDerWaalsContact O-N 3.15Å; N766-C769 CarbonylContact O-C 3.58Å; N766-C769 VanDerWaalsContact O-C 3.29Å; N766-C769 WeakPolarHBondContact O-CA 3.25Å; N766-C769 PolarHBondContact O-N 2.75Å; N766-C769 VanDerWaalsContact O-N 3.16Å; N766-S770 PolarHBondContact O-N 2.84Å; N766-Q889 PolarHBondContact ND2-OE1 3.16Å
767L70.1Confident73.5Confident4 Ų460 Ų602%0.02133%0.332CS..Hα-helixtrans-68.7-34.6175-68.5175.7000111.9L736 V743 V763 C769 S770 W885 Q889L736-L767 HydrophobicContact CD1-CD2 4.15Å; V743-L767 HydrophobicContact CB-CD1 4.08Å; V743-L767 HydrophobicContact CG1-CD1 4.3Å; V743-L767 HydrophobicContact CG2-CD1 3.75Å; V763-L767 HydrophobicContact CG1-CD1 3.76Å; V763-L767 HydrophobicContact CG1-CG 4.17Å; V763-L767 WeakPolarHBondContact O-CB 3.28Å; V763-L767 WeakPolarHBondContact O-CG 3.05Å; V763-L767 PolarHBondContact O-N 3.36Å; L767-C769 PolarHBondContact O-N 2.97Å; L767-S770 WeakPolarHBondContact O-CB 3.37Å; L767-S770 PolarHBondContact O-N 3Å; L767-S770 VanDerWaalsContact O-N 3.13Å; L767-S770 PolarHBondContact O-OG 3.14Å; L767-W885 HydrophobicContact CD2-CH2 4.17Å; L767-Q889 HydrophobicContact CD2-CB 4.29Å; L767-Q889 HydrophobicContact CD2-CG 4.25Å
768S69.3Low75Confident58 Ų5860.9 Ų60.941%0.40634%0.335SS..Hα-helixtrans-64.5-32171-63.20000111.6L764 R765 S770L764-S768 WeakPolarHBondContact O-CB 3.41Å; L764-S768 PolarHBondContact O-N 3.41Å; L764-S768 PolarHBondContact O-OG 3.14Å; R765-S768 WeakPolarHBondContact O-CB 2.95Å; R765-S768 PolarHBondContact O-N 3.16Å; S768-S770 VanDerWaalsContact C-N 3.34Å
769C66.3Low76.5Confident80 Ų8059.2 Ų59.254%0.54132%0.324SS..THydrogen-bonded Turntrans-89.27.6174.6-155.90000113.5R765 N766 L767 S771 V772R765-C769 WeakPolarHBondContact O-CB 3.33Å; R765-C769 PolarHBondContact O-N 3.34Å; N766-C769 CarbonylContact O-C 3.58Å; N766-C769 VanDerWaalsContact O-C 3.29Å; N766-C769 WeakPolarHBondContact O-CA 3.25Å; N766-C769 PolarHBondContact O-N 2.75Å; N766-C769 VanDerWaalsContact O-N 3.16Å; L767-C769 PolarHBondContact O-N 2.97Å; C769-S771 PolarHBondContact O-N 2.8Å; C769-V772 PolarHBondContact O-N 3.26Å
770S76.4Confident78Confident8 Ų856.5 Ų56.56%0.05632%0.316CS..THydrogen-bonded Turntrans-59.1-1617960.70000113.8N766 L767 S768 V772 V773 V774N766-S770 PolarHBondContact O-N 2.84Å; L767-S770 WeakPolarHBondContact O-CB 3.37Å; L767-S770 PolarHBondContact O-N 3Å; L767-S770 VanDerWaalsContact O-N 3.13Å; L767-S770 PolarHBondContact O-OG 3.14Å; S768-S770 VanDerWaalsContact C-N 3.34Å; S770-V772 PolarHBondContact O-N 3.45Å; S770-V772 VanDerWaalsContact O-N 3.1Å; S770-V773 PolarHBondContact O-N 2.93Å; S770-V773 VanDerWaalsContact O-N 3.07Å; S770-V774 WeakPolarHBondContact O-CG2 3.4Å; S770-V774 PolarHBondContact O-N 3.45Å
771S80.8Confident79.4Confident63 Ų6354.9 Ų54.944%0.44130%0.304SS..Hα-helixtrans-48.9-37.2175.3-175.70000112.8C769 Q775C769-S771 PolarHBondContact O-N 2.8Å; S771-Q775 VanDerWaalsContact O-CB 3.25Å; S771-Q775 WeakPolarHBondContact O-CB 3.21Å; S771-Q775 WeakPolarHBondContact O-CG 3.44Å; S771-Q775 PolarHBondContact O-N 3.22Å
772V84.2Confident80.8Confident95 Ų9561.9 Ų61.958%0.57633%0.326SS*.Hα-helixtrans-68-48.2-179.7-179.30000110.8C769 S770 V774 Q775 E776C769-V772 PolarHBondContact O-N 3.26Å; S770-V772 PolarHBondContact O-N 3.45Å; S770-V772 VanDerWaalsContact O-N 3.1Å; V772-V774 PolarHBondContact O-N 3.04Å; V772-Q775 PolarHBondContact O-N 3.17Å; V772-E776 WeakPolarHBondContact O-CB 3.46Å; V772-E776 PolarHBondContact O-N 3.18Å
773V86Confident82Confident40 Ų4062.4 Ų62.424%0.24233%0.328CS..Hα-helixtrans-66.5-39.1-180179.90000111.4S770 E776 L777 F882 W885S770-V773 PolarHBondContact O-N 2.93Å; S770-V773 VanDerWaalsContact O-N 3.07Å; V773-E776 PolarHBondContact O-N 3.07Å; V773-L777 WeakPolarHBondContact O-CB 3.29Å; V773-L777 PolarHBondContact O-N 2.93Å; V773-F882 HydrophobicContact CG1-CD2 4.05Å; V773-F882 HydrophobicContact CG1-CE2 4.44Å; V773-W885 HydrophobicContact CB-CD2 4.38Å; V773-W885 HydrophobicContact CB-CZ2 4.43Å; V773-W885 HydrophobicContact CG1-CD2 3.92Å; V773-W885 HydrophobicContact CG1-CE3 4.01Å; V773-W885 HydrophobicContact CG1-CG 4.25Å; V773-W885 HydrophobicContact CG2-CD2 4.12Å; V773-W885 HydrophobicContact CG2-CG 4.43Å; V773-W885 HydrophobicContact CG2-CZ2 4.02Å
774V88.3Confident83.2Confident32 Ų3267.3 Ų67.319%0.19435%0.351CS..Hα-helixtrans-65-42.1175.5168.70000111.3M733 L736 S770 V772 T778M733-V774 HydrophobicContact CE-CG1 3.81Å; M733-V774 HydrophobicContact SD-CG1 3.96Å; M733-V774 HydrophobicContact SD-CG2 4.26Å; L736-V774 HydrophobicContact CD2-CG2 3.39Å; S770-V774 WeakPolarHBondContact O-CG2 3.4Å; S770-V774 PolarHBondContact O-N 3.45Å; V772-V774 PolarHBondContact O-N 3.04Å; V774-T778 VanDerWaalsContact O-CB 3.24Å; V774-T778 WeakPolarHBondContact O-CB 3.4Å; V774-T778 PolarHBondContact O-N 3.14Å; V774-T778 PolarHBondContact O-OG1 2.92Å
775Q87.4Confident84.5Confident127 Ų12765.8 Ų65.859%0.59334%0.343SS*.Hα-helixtrans-64.3-42.3176-79.7175.2-7.900111.6S771 V772 T778 S779S771-Q775 VanDerWaalsContact O-CB 3.25Å; S771-Q775 WeakPolarHBondContact O-CB 3.21Å; S771-Q775 WeakPolarHBondContact O-CG 3.44Å; S771-Q775 PolarHBondContact O-N 3.22Å; V772-Q775 PolarHBondContact O-N 3.17Å; Q775-T778 PolarHBondContact O-N 2.97Å; Q775-S779 WeakPolarHBondContact O-CB 3.38Å; Q775-S779 PolarHBondContact O-N 2.96Å
776E89.6Confident85.7Confident107 Ų10760.4 Ų60.450%0.533%0.329SS..Hα-helixtrans-61.8-52.6176.4-173.561.8-158.400111.3V772 V773 T778 S779 N780V772-E776 WeakPolarHBondContact O-CB 3.46Å; V772-E776 PolarHBondContact O-N 3.18Å; V773-E776 PolarHBondContact O-N 3.07Å; E776-T778 VanDerWaalsContact C-N 3.33Å; E776-T778 PolarHBondContact O-N 2.85Å; E776-S779 WeakPolarHBondContact O-CB 3.39Å; E776-S779 PolarHBondContact O-N 3.29Å; E776-S779 VanDerWaalsContact O-N 3.16Å; E776-N780 WeakPolarHBondContact O-CB 3.26Å; E776-N780 VanDerWaalsContact O-CG 3.29Å; E776-N780 PolarHBondContact O-N 2.88Å; E776-N780 PolarHBondContact OE1-ND2 2.93Å; E776-N780 PolarHBondContact OE1-OD1 3.16Å
777L90.8Very high86.7Confident10 Ų1060.9 Ų60.95%0.05233%0.329CS..Hα-helixtrans-56.1-47.2175.9175.264.1000111.6M733 V773 S779 N780 V781 D878 M879 F882M733-L777 HydrophobicContact CE-CD2 4.15Å; V773-L777 WeakPolarHBondContact O-CB 3.29Å; V773-L777 PolarHBondContact O-N 2.93Å; L777-S779 VanDerWaalsContact C-N 3.31Å; L777-S779 PolarHBondContact O-N 2.9Å; L777-N780 PolarHBondContact O-N 3.42Å; L777-V781 HydrophobicContact CD1-CG2 3.79Å; L777-V781 HydrophobicContact CG-CG2 4.4Å; L777-V781 WeakPolarHBondContact O-CB 3.45Å; L777-V781 VanDerWaalsContact O-CG2 3.25Å; L777-V781 WeakPolarHBondContact O-CG2 3.34Å; L777-V781 PolarHBondContact O-N 2.87Å; L777-D878 HydrophobicContact CD1-CB 3.81Å; L777-M879 HydrophobicContact CD1-SD 4.45Å; L777-F882 HydrophobicContact CD2-CB 4.19Å; L777-F882 HydrophobicContact CD2-CD1 4.41Å; L777-F882 HydrophobicContact CD2-CD2 3.79Å; L777-F882 HydrophobicContact CD2-CE2 4.25Å; L777-F882 HydrophobicContact CD2-CG 3.86Å
778T91.1Very high87.7Confident72 Ų7262 Ų6244%0.44234%0.336SS..Hα-helixtrans-64.1-39.2-179.8-570000111.2V774 Q775 E776 R782V774-T778 VanDerWaalsContact O-CB 3.24Å; V774-T778 WeakPolarHBondContact O-CB 3.4Å; V774-T778 PolarHBondContact O-N 3.14Å; V774-T778 PolarHBondContact O-OG1 2.92Å; Q775-T778 PolarHBondContact O-N 2.97Å; E776-T778 VanDerWaalsContact C-N 3.33Å; E776-T778 PolarHBondContact O-N 2.85Å; T778-R782 WeakPolarHBondContact O-CB 3.29Å; T778-R782 PolarHBondContact O-N 2.8Å
779S91.5Very high88.9Confident52 Ų5259.4 Ų59.436%0.36432%0.318SS..Hα-helixtrans-65.1-48.6176.6-174.30000111.3Q775 E776 L777 R782 L783Q775-S779 WeakPolarHBondContact O-CB 3.38Å; Q775-S779 PolarHBondContact O-N 2.96Å; E776-S779 WeakPolarHBondContact O-CB 3.39Å; E776-S779 PolarHBondContact O-N 3.29Å; E776-S779 VanDerWaalsContact O-N 3.16Å; L777-S779 VanDerWaalsContact C-N 3.31Å; L777-S779 PolarHBondContact O-N 2.9Å; S779-R782 WeakPolarHBondContact O-CB 3.29Å; S779-R782 PolarHBondContact O-N 2.76Å; S779-L783 WeakPolarHBondContact O-CB 3.22Å; S779-L783 WeakPolarHBondContact O-CG 3.22Å; S779-L783 PolarHBondContact O-N 2.73Å
780N93.2Very high90.1Very high30 Ų3058.2 Ų58.216%0.1631%0.311CS..Hα-helixtrans-66.7-45.1-177.4-66.5-14.3000111.5E776 L777 R782 L783 H784 D878E776-N780 WeakPolarHBondContact O-CB 3.26Å; E776-N780 VanDerWaalsContact O-CG 3.29Å; E776-N780 PolarHBondContact O-N 2.88Å; E776-N780 PolarHBondContact OE1-ND2 2.93Å; E776-N780 PolarHBondContact OE1-OD1 3.16Å; L777-N780 PolarHBondContact O-N 3.42Å; N780-R782 VanDerWaalsContact C-N 3.29Å; N780-R782 PolarHBondContact O-N 2.8Å; N780-L783 PolarHBondContact O-N 2.96Å; N780-H784 WeakPolarHBondContact O-CB 3.38Å; N780-H784 PolarHBondContact O-CD2 3.05Å; N780-H784 PolarHBondContact O-N 2.87Å; N780-D878 VanDerWaalsContact CB-OD2 3.26Å; N780-D878 WeakPolarHBondContact CB-OD2 3.47Å
781V94.1Very high90.8Very high2 Ų264.5 Ų64.51%0.01233%0.333CS..Hα-helixtrans-65.1-34.4175.2178.30000111.6V725 I729 L777 V785 T786 L875 D878V725-V781 HydrophobicContact CG1-CG1 4.01Å; I729-V781 HydrophobicContact CD1-CB 4.25Å; I729-V781 HydrophobicContact CD1-CG1 3.42Å; I729-V781 VanDerWaalsContact CD1-CG1 3.42Å; I729-V781 HydrophobicContact CG1-CG1 4.29Å; L777-V781 HydrophobicContact CD1-CG2 3.79Å; L777-V781 HydrophobicContact CG-CG2 4.4Å; L777-V781 WeakPolarHBondContact O-CB 3.45Å; L777-V781 VanDerWaalsContact O-CG2 3.25Å; L777-V781 WeakPolarHBondContact O-CG2 3.34Å; L777-V781 PolarHBondContact O-N 2.87Å; V781-V785 HydrophobicContact CG1-CB 4.05Å; V781-V785 HydrophobicContact CG1-CG2 4.2Å; V781-V785 WeakPolarHBondContact O-CA 3.46Å; V781-V785 VanDerWaalsContact O-CB 3.26Å; V781-V785 WeakPolarHBondContact O-CB 3.31Å; V781-V785 PolarHBondContact O-N 3.41Å; V781-V785 VanDerWaalsContact O-N 3.11Å; V781-T786 PolarHBondContact O-N 3.39Å; V781-T786 PolarHBondContact O-OG1 2.9Å; V781-L875 HydrophobicContact CG1-CD1 4.25Å; V781-L875 HydrophobicContact CG2-CD1 4.19Å; V781-D878 HydrophobicContact CG2-CB 4.43Å
782R93.2Very high91.4Very high171 Ų17162 Ų6265%0.64532%0.315SS*.Iπ-helixtrans-63.5-50.8173.3179.9-178.8173.2-148.7-2.6111.3T778 S779 N780 E787T778-R782 WeakPolarHBondContact O-CB 3.29Å; T778-R782 PolarHBondContact O-N 2.8Å; S779-R782 WeakPolarHBondContact O-CB 3.29Å; S779-R782 PolarHBondContact O-N 2.76Å; N780-R782 VanDerWaalsContact C-N 3.29Å; N780-R782 PolarHBondContact O-N 2.8Å; R782-E787 WeakPolarHBondContact O-CB 3.39Å; R782-E787 PolarHBondContact O-N 2.78Å
783L93.5Very high91.7Very high79 Ų7959.1 Ų59.141%0.41430%0.295SS..Iπ-helixtrans-73.3-40.4-173.6-70.3172.4000113.3S779 N780 P788S779-L783 WeakPolarHBondContact O-CB 3.22Å; S779-L783 WeakPolarHBondContact O-CG 3.22Å; S779-L783 PolarHBondContact O-N 2.73Å; N780-L783 PolarHBondContact O-N 2.96Å; L783-P788 VanDerWaalsContact O-CD 3.32Å; L783-P788 WeakPolarHBondContact O-CD 3.29Å
784H94.1Very high91.8Very high105 Ų10558.4 Ų58.449%0.48630%0.295SS..Iπ-helixtrans-101.7-13.8-171.3-62.6-66.6000114.4N780 A874N780-H784 WeakPolarHBondContact O-CB 3.38Å; N780-H784 PolarHBondContact O-CD2 3.05Å; N780-H784 PolarHBondContact O-N 2.87Å; H784-A874 HydrophobicContact CB-CB 3.92Å
785V94.9Very high91.9Very high0 Ų059 Ų590%030%0.301CS..Iπ-helixtrans-123.9-58.1-178-170.90000111.4F721 V725 V781 T789 A871 A874 L875F721-V785 HydrophobicContact CE1-CG1 3.68Å; F721-V785 HydrophobicContact CZ-CG1 3.86Å; V725-V785 HydrophobicContact CG1-CG1 4.16Å; V725-V785 HydrophobicContact CG2-CG1 3.6Å; V781-V785 HydrophobicContact CG1-CB 4.05Å; V781-V785 HydrophobicContact CG1-CG2 4.2Å; V781-V785 WeakPolarHBondContact O-CA 3.46Å; V781-V785 VanDerWaalsContact O-CB 3.26Å; V781-V785 WeakPolarHBondContact O-CB 3.31Å; V781-V785 PolarHBondContact O-N 3.41Å; V781-V785 VanDerWaalsContact O-N 3.11Å; V785-T789 VanDerWaalsContact O-CB 3.28Å; V785-T789 WeakPolarHBondContact O-CB 3.43Å; V785-T789 PolarHBondContact O-N 2.77Å; V785-T789 VanDerWaalsContact O-N 3.09Å; V785-T789 PolarHBondContact O-OG1 3.42Å; V785-A871 HydrophobicContact CG1-CB 4.18Å; V785-A871 WeakPolarHBondContact CG2-O 3.5Å; V785-A874 HydrophobicContact CG2-CB 4.21Å; V785-L875 HydrophobicContact CG1-CB 4.49Å; V785-L875 HydrophobicContact CG2-CB 4.02Å
786T92.6Very high92.1Very high59 Ų5953.3 Ų53.336%0.36228%0.276SS..Iπ-helixtrans-70.8-47.6-171.1-52.50000112V781 T789 S790V781-T786 PolarHBondContact O-N 3.39Å; V781-T786 PolarHBondContact O-OG1 2.9Å; T786-T789 PolarHBondContact O-N 2.75Å; T786-S790 VanDerWaalsContact O-CB 3.29Å; T786-S790 WeakPolarHBondContact O-CB 3.45Å; T786-S790 PolarHBondContact O-N 3.42Å; T786-S790 PolarHBondContact O-OG 3.29Å
787E92.3Very high92.1Very high85 Ų8555.6 Ų55.640%0.39728%0.28SS..Hα-helixtrans-65.8-47.4179.9-171.1-170.2151.300112.2R782 T789 S790 R791R782-E787 WeakPolarHBondContact O-CB 3.39Å; R782-E787 PolarHBondContact O-N 2.78Å; E787-T789 PolarHBondContact O-N 2.71Å; E787-S790 WeakPolarHBondContact O-CB 3.01Å; E787-S790 PolarHBondContact O-N 2.58Å; E787-R791 WeakPolarHBondContact O-CG 3.46Å; E787-R791 PolarHBondContact O-N 3.12Å; E787-R791 IonicContact OE1-NH1 2.64Å; E787-R791 PolarHBondContact OE1-NH1 3.2Å
788P92.9Very high91.9Very high27 Ų2756.5 Ų56.518%0.17529%0.285CS..Hα-helixtrans-56.7-45.3172.7-26.135.6000113.4L783 S790 R791 L792L783-P788 VanDerWaalsContact O-CD 3.32Å; L783-P788 WeakPolarHBondContact O-CD 3.29Å; P788-S790 VanDerWaalsContact C-N 3.32Å; P788-S790 PolarHBondContact O-N 3.39Å; P788-R791 WeakPolarHBondContact O-CB 3.07Å; P788-R791 PolarHBondContact O-N 2.89Å; P788-L792 PolarHBondContact O-N 3.3Å; P788-L792 VanDerWaalsContact O-N 3.14Å
789T93.1Very high91.9Very high4 Ų453.5 Ų53.53%0.02527%0.266CS..Hα-helixtrans-62.7-40.1177-55.30000111.4I718 F721 V785 T786 E787 R791 L792 Q793I718-T789 HydrophobicContact CG2-CG2 3.92Å; F721-T789 HydrophobicContact CD1-CG2 4.21Å; V785-T789 VanDerWaalsContact O-CB 3.28Å; V785-T789 WeakPolarHBondContact O-CB 3.43Å; V785-T789 PolarHBondContact O-N 2.77Å; V785-T789 VanDerWaalsContact O-N 3.09Å; V785-T789 PolarHBondContact O-OG1 3.42Å; T786-T789 PolarHBondContact O-N 2.75Å; E787-T789 PolarHBondContact O-N 2.71Å; T789-R791 VanDerWaalsContact C-N 3.31Å; T789-R791 PolarHBondContact O-N 3.22Å; T789-L792 WeakPolarHBondContact O-CB 3.02Å; T789-L792 PolarHBondContact O-N 3.19Å; T789-Q793 WeakPolarHBondContact O-CG 3.19Å; T789-Q793 PolarHBondContact O-N 3.47Å
790S91.3Very high91.9Very high55 Ų5552.8 Ų52.839%0.38526%0.263SS..Hα-helixtrans-64.5-34.3176.4-60.60000112.3T786 E787 P788 Q793 G794T786-S790 VanDerWaalsContact O-CB 3.29Å; T786-S790 WeakPolarHBondContact O-CB 3.45Å; T786-S790 PolarHBondContact O-N 3.42Å; T786-S790 PolarHBondContact O-OG 3.29Å; E787-S790 WeakPolarHBondContact O-CB 3.01Å; E787-S790 PolarHBondContact O-N 2.58Å; P788-S790 VanDerWaalsContact C-N 3.32Å; P788-S790 PolarHBondContact O-N 3.39Å; S790-Q793 PolarHBondContact O-N 2.72Å; S790-G794 PolarHBondContact O-N 3.04Å
791R90.9Very high91.7Very high139 Ų13955.6 Ų55.653%0.52527%0.274SS..Hα-helixtrans-65.3-42.6172.9-70-171-63.3-108.65111.6E787 P788 T789 Q793 G794 S795E787-R791 WeakPolarHBondContact O-CG 3.46Å; E787-R791 PolarHBondContact O-N 3.12Å; E787-R791 IonicContact OE1-NH1 2.64Å; E787-R791 PolarHBondContact OE1-NH1 3.2Å; P788-R791 WeakPolarHBondContact O-CB 3.07Å; P788-R791 PolarHBondContact O-N 2.89Å; T789-R791 VanDerWaalsContact C-N 3.31Å; T789-R791 PolarHBondContact O-N 3.22Å; R791-Q793 VanDerWaalsContact C-N 3.34Å; R791-Q793 PolarHBondContact O-N 3.39Å; R791-G794 PolarHBondContact O-N 3.4Å; R791-G794 VanDerWaalsContact O-N 3.15Å; R791-S795 PolarHBondContact O-N 2.82Å; R791-S795 PolarHBondContact O-OG 3.45Å
792L93.8Very high91.5Very high11 Ų1155.5 Ų55.56%0.05827%0.273CS..Hα-helixtrans-60.2-43.7174.1-65.4177.1000111.5I718 P788 T789 G794 S795 A796 M863 V864 L868I718-L792 HydrophobicContact CD1-CB 4.05Å; P788-L792 PolarHBondContact O-N 3.3Å; P788-L792 VanDerWaalsContact O-N 3.14Å; T789-L792 WeakPolarHBondContact O-CB 3.02Å; T789-L792 PolarHBondContact O-N 3.19Å; L792-G794 VanDerWaalsContact C-N 3.31Å; L792-G794 PolarHBondContact O-N 3.41Å; L792-S795 PolarHBondContact O-N 3.06Å; L792-A796 WeakPolarHBondContact O-CB 3.38Å; L792-A796 PolarHBondContact O-N 3.18Å; L792-M863 HydrophobicContact CD2-CG 3.79Å; L792-M863 HydrophobicContact CD2-SD 3.97Å; L792-V864 HydrophobicContact CD2-CG2 4.29Å; L792-L868 HydrophobicContact CD1-CD2 4.24Å; L792-L868 HydrophobicContact CD1-CG 4.29Å
793Q91.7Very high91.4Very high34 Ų3447.7 Ų47.716%0.15924%0.244CC..Hα-helixtrans-60.9-40.1174-69.7178.1-1800112.2I718 N719 T789 S790 R791 A796 R797I718-Q793 HydrophobicContact CG2-CG 3.42Å; I718-Q793 VanDerWaalsContact CG2-CG 3.42Å; N719-Q793 PolarHBondContact OD1-NE2 2.93Å; T789-Q793 WeakPolarHBondContact O-CG 3.19Å; T789-Q793 PolarHBondContact O-N 3.47Å; S790-Q793 PolarHBondContact O-N 2.72Å; R791-Q793 VanDerWaalsContact C-N 3.34Å; R791-Q793 PolarHBondContact O-N 3.39Å; Q793-A796 PolarHBondContact O-N 2.85Å; Q793-R797 WeakPolarHBondContact O-CG 3.37Å; Q793-R797 PolarHBondContact O-N 3.24Å; Q793-R797 VanDerWaalsContact O-N 3.08Å
794G88.3Confident91.2Very high25 Ų2548 Ų4826%0.25825%0.246SC..Hα-helixtrans-58.7-51174.400000112S790 R791 L792 A796 R797 I798S790-G794 PolarHBondContact O-N 3.04Å; R791-G794 PolarHBondContact O-N 3.4Å; R791-G794 VanDerWaalsContact O-N 3.15Å; L792-G794 VanDerWaalsContact C-N 3.31Å; L792-G794 PolarHBondContact O-N 3.41Å; G794-A796 VanDerWaalsContact C-N 3.35Å; G794-A796 PolarHBondContact O-N 3.11Å; G794-R797 PolarHBondContact O-N 3.49Å; G794-I798 PolarHBondContact O-N 3.4Å
795S89.1Confident90.9Very high44 Ų4445.2 Ų45.231%0.30823%0.233SC..Hα-helixtrans-59.6-42.9176-66.30000112.3R791 L792 R797 I798 L799R791-S795 PolarHBondContact O-N 2.82Å; R791-S795 PolarHBondContact O-OG 3.45Å; L792-S795 PolarHBondContact O-N 3.06Å; S795-R797 VanDerWaalsContact C-N 3.34Å; S795-R797 PolarHBondContact O-N 3.22Å; S795-I798 WeakPolarHBondContact O-CB 3.27Å; S795-I798 PolarHBondContact O-N 3.38Å; S795-I798 VanDerWaalsContact O-N 3.12Å; S795-L799 PolarHBondContact O-N 2.93Å
796A92.1Very high90.8Very high8 Ų845.7 Ų45.77%0.06623%0.234CC..Hα-helixtrans-59.1-42.6177.200000112.6F711 V715 L792 Q793 G794 I798 L799 A800 F860F711-A796 HydrophobicContact CE2-CB 4.19Å; F711-A796 HydrophobicContact CZ-CB 4.33Å; F711-A796 WeakPolarHBondContact CZ-O 3.48Å; V715-A796 HydrophobicContact CG2-CB 3.96Å; L792-A796 WeakPolarHBondContact O-CB 3.38Å; L792-A796 PolarHBondContact O-N 3.18Å; Q793-A796 PolarHBondContact O-N 2.85Å; G794-A796 VanDerWaalsContact C-N 3.35Å; G794-A796 PolarHBondContact O-N 3.11Å; A796-I798 VanDerWaalsContact C-N 3.26Å; A796-I798 PolarHBondContact O-N 2.87Å; A796-L799 PolarHBondContact O-N 3.44Å; A796-A800 WeakPolarHBondContact O-CB 3.49Å; A796-A800 PolarHBondContact O-N 3.2Å; A796-F860 HydrophobicContact CB-CE1 4.42Å; A796-F860 HydrophobicContact CB-CE2 4.37Å; A796-F860 HydrophobicContact CB-CZ 3.74Å
797R89Confident90.8Very high155 Ų15548.2 Ų48.259%0.58524%0.238SC*.Hα-helixtrans-62.6-33.7177.2-69.8174.6-159.4144.86.3112.5Q793 G794 S795 K801Q793-R797 WeakPolarHBondContact O-CG 3.37Å; Q793-R797 PolarHBondContact O-N 3.24Å; Q793-R797 VanDerWaalsContact O-N 3.08Å; G794-R797 PolarHBondContact O-N 3.49Å; S795-R797 VanDerWaalsContact C-N 3.34Å; S795-R797 PolarHBondContact O-N 3.22Å; R797-K801 WeakPolarHBondContact O-CG 3.5Å; R797-K801 PolarHBondContact O-N 3.29Å
798I87.2Confident90.7Very high30 Ų3046.2 Ų46.215%0.15423%0.229CC..Hα-helixtrans-69.2-48.5176.5-63.5167000109.5R659 E663 G794 S795 A796 A800 K801 L802R659-I798 HydrophobicContact CG-CG2 4.17Å; E663-I798 HydrophobicContact CG-CD1 4.33Å; G794-I798 PolarHBondContact O-N 3.4Å; S795-I798 WeakPolarHBondContact O-CB 3.27Å; S795-I798 PolarHBondContact O-N 3.38Å; S795-I798 VanDerWaalsContact O-N 3.12Å; A796-I798 VanDerWaalsContact C-N 3.26Å; A796-I798 PolarHBondContact O-N 2.87Å; I798-A800 PolarHBondContact O-N 3.01Å; I798-K801 WeakPolarHBondContact O-CB 3.38Å; I798-K801 PolarHBondContact O-N 3Å; I798-L802 HydrophobicContact CG2-CD1 4.39Å; I798-L802 PolarHBondContact O-N 3.34Å; I798-L802 VanDerWaalsContact O-N 3.13Å
799L91.5Very high90.6Very high8 Ų846.3 Ų46.34%0.04223%0.227CC..Hα-helixtrans-62.9-41179.3-67.1175.2000112.4F711 S795 A796 K801 L802 I803 D856 L857 F860F711-L799 HydrophobicContact CE2-CB 3.86Å; F711-L799 HydrophobicContact CE2-CD1 4.28Å; F711-L799 HydrophobicContact CZ-CB 4.27Å; S795-L799 PolarHBondContact O-N 2.93Å; A796-L799 PolarHBondContact O-N 3.44Å; L799-K801 VanDerWaalsContact C-N 3.3Å; L799-K801 PolarHBondContact O-N 3.02Å; L799-L802 HydrophobicContact CD2-CD1 4.37Å; L799-L802 WeakPolarHBondContact O-CA 3.21Å; L799-L802 WeakPolarHBondContact O-CB 3.13Å; L799-L802 PolarHBondContact O-N 2.81Å; L799-I803 WeakPolarHBondContact O-CG1 3.47Å; L799-I803 PolarHBondContact O-N 3.27Å; L799-D856 HydrophobicContact CD2-CB 4.08Å; L799-L857 HydrophobicContact CB-CD2 4.39Å; L799-L857 HydrophobicContact CD1-CD2 4.35Å; L799-F860 HydrophobicContact CD1-CB 3.52Å; L799-F860 HydrophobicContact CD1-CD1 3.95Å; L799-F860 HydrophobicContact CD1-CD2 3.62Å; L799-F860 HydrophobicContact CD1-CE2 4.34Å; L799-F860 HydrophobicContact CD1-CG 3.39Å
800A91.5Very high90.6Very high37 Ų3746.8 Ų46.831%0.30623%0.23SC..Hα-helixtrans-56.1-43.4174.700000112.3F711 A796 I798 L802 I803 D804F711-A800 HydrophobicContact CE1-CB 4.35Å; F711-A800 HydrophobicContact CZ-CB 4.15Å; A796-A800 WeakPolarHBondContact O-CB 3.49Å; A796-A800 PolarHBondContact O-N 3.2Å; I798-A800 PolarHBondContact O-N 3.01Å; A800-L802 VanDerWaalsContact C-N 3.32Å; A800-L802 PolarHBondContact O-N 3.07Å; A800-I803 WeakPolarHBondContact O-CB 3.3Å; A800-I803 PolarHBondContact O-N 2.8Å; A800-D804 PolarHBondContact O-N 2.86Å; A800-D804 VanDerWaalsContact O-N 3.13Å
801K88.5Confident90.6Very high90 Ų9044.5 Ų44.539%0.39121%0.213SC..Hα-helixtrans-65.1-35.1175.3-69.9169.5176.7168.30112.4C662 R797 I798 L799 D804 K805C662-K801 HydrophobicContact CB-CB 4.14Å; C662-K801 HydrophobicContact CB-CD 3.88Å; C662-K801 PolarHBondContact O-NZ 3.5Å; C662-K801 VanDerWaalsContact SG-CB 3.57Å; R797-K801 WeakPolarHBondContact O-CG 3.5Å; R797-K801 PolarHBondContact O-N 3.29Å; I798-K801 WeakPolarHBondContact O-CB 3.38Å; I798-K801 PolarHBondContact O-N 3Å; L799-K801 VanDerWaalsContact C-N 3.3Å; L799-K801 PolarHBondContact O-N 3.02Å; K801-D804 PolarHBondContact O-N 3.31Å; K801-K805 WeakPolarHBondContact O-CB 3.45Å; K801-K805 PolarHBondContact O-N 3.39Å
802L89.4Confident90.6Very high0 Ų039.2 Ų39.20%020%0.195CC..Hα-helixtrans-71.6-36.2176.8-67.8172.8000112.1I798 L799 A800 D804 K805 R806 L853I798-L802 HydrophobicContact CG2-CD1 4.39Å; I798-L802 PolarHBondContact O-N 3.34Å; I798-L802 VanDerWaalsContact O-N 3.13Å; L799-L802 HydrophobicContact CD2-CD1 4.37Å; L799-L802 WeakPolarHBondContact O-CA 3.21Å; L799-L802 WeakPolarHBondContact O-CB 3.13Å; L799-L802 PolarHBondContact O-N 2.81Å; A800-L802 VanDerWaalsContact C-N 3.32Å; A800-L802 PolarHBondContact O-N 3.07Å; L802-D804 VanDerWaalsContact C-N 3.33Å; L802-D804 PolarHBondContact O-N 3.31Å; L802-K805 CarbonylContact O-C 3.47Å; L802-K805 WeakPolarHBondContact O-CB 3.38Å; L802-K805 PolarHBondContact O-N 3.11Å; L802-K805 VanDerWaalsContact O-N 3.14Å; L802-R806 PolarHBondContact O-N 3.48Å; L802-L853 HydrophobicContact CB-CD1 4.17Å; L802-L853 HydrophobicContact CB-CD2 3.52Å; L802-L853 HydrophobicContact CB-CG 4.39Å; L802-L853 HydrophobicContact CD1-CD2 4.04Å; L802-L853 HydrophobicContact CG-CD2 4.4Å; L802-L853 WeakPolarHBondContact O-CD1 3.28Å
803I91.6Very high90.6Very high6 Ų639.9 Ų39.93%0.03120%0.197CC..Hα-helixtrans-57.7-47.1171.1-69166.5000110.1F704 V708 F711 L799 A800 K805 R806 R807 L857F704-I803 HydrophobicContact CZ-CG1 4.17Å; F704-I803 HydrophobicContact CZ-CG2 4.13Å; V708-I803 HydrophobicContact CG2-CD1 4.08Å; V708-I803 HydrophobicContact CG2-CG1 4.33Å; V708-I803 HydrophobicContact CG2-CG2 4.37Å; F711-I803 HydrophobicContact CD1-CD1 3.71Å; F711-I803 HydrophobicContact CE1-CD1 3.81Å; F711-I803 HydrophobicContact CG-CD1 4.27Å; F711-I803 HydrophobicContact CZ-CD1 4.43Å; L799-I803 WeakPolarHBondContact O-CG1 3.47Å; L799-I803 PolarHBondContact O-N 3.27Å; A800-I803 WeakPolarHBondContact O-CB 3.3Å; A800-I803 PolarHBondContact O-N 2.8Å; I803-K805 VanDerWaalsContact C-N 3.32Å; I803-K805 PolarHBondContact O-N 3.47Å; I803-R806 WeakPolarHBondContact O-CB 3.14Å; I803-R806 PolarHBondContact O-N 2.9Å; I803-R807 WeakPolarHBondContact O-CG 3.25Å; I803-R807 PolarHBondContact O-N 3.31Å; I803-L857 HydrophobicContact CD1-CD2 4.08Å
804D89.8Confident90.7Very high87 Ų8739 Ų3947%0.46519%0.193SC..Hα-helixtrans-65.4-36.4176-73.2-26.6000112.3A800 K801 L802 R806 R807 D808A800-D804 PolarHBondContact O-N 2.86Å; A800-D804 VanDerWaalsContact O-N 3.13Å; K801-D804 PolarHBondContact O-N 3.31Å; L802-D804 VanDerWaalsContact C-N 3.33Å; L802-D804 PolarHBondContact O-N 3.31Å; D804-R806 VanDerWaalsContact C-N 3.34Å; D804-R806 PolarHBondContact O-N 3.32Å; D804-R807 WeakPolarHBondContact O-CB 3.46Å; D804-R807 PolarHBondContact O-N 2.69Å; D804-R807 IonicContact OD1-NH1 3.26Å; D804-R807 PolarHBondContact OD1-NH1 3.22Å; D804-D808 PolarHBondContact O-N 2.82Å
805K88.4Confident90.8Very high45 Ų4538.8 Ų38.820%0.19619%0.186CC..Hα-helixtrans-64.6-37.2174.7-168.163.1168.7-117.10112.1Y658 E661 K801 L802 I803 D808 K809 L849Y658-K805 HydrophobicContact CD1-CD 4.34Å; Y658-K805 VanDerWaalsContact CD1-CE 3.44Å; Y658-K805 HydrophobicContact CD1-CG 4.03Å; Y658-K805 HydrophobicContact CE1-CD 4.39Å; Y658-K805 HydrophobicContact CE1-CG 4.3Å; Y658-K805 HydrophobicContact CG-CG 4.17Å; E661-K805 IonicContact OE2-NZ 2.69Å; E661-K805 PolarHBondContact OE2-NZ 3.27Å; K801-K805 WeakPolarHBondContact O-CB 3.45Å; K801-K805 PolarHBondContact O-N 3.39Å; L802-K805 CarbonylContact O-C 3.47Å; L802-K805 WeakPolarHBondContact O-CB 3.38Å; L802-K805 PolarHBondContact O-N 3.11Å; L802-K805 VanDerWaalsContact O-N 3.14Å; I803-K805 VanDerWaalsContact C-N 3.32Å; I803-K805 PolarHBondContact O-N 3.47Å; K805-D808 VanDerWaalsContact O-CB 3.3Å; K805-D808 WeakPolarHBondContact O-CB 3.26Å; K805-D808 PolarHBondContact O-N 2.99Å; K805-K809 VanDerWaalsContact O-CG 3.28Å; K805-K809 WeakPolarHBondContact O-CG 3.46Å; K805-K809 PolarHBondContact O-N 2.95Å; K805-L849 HydrophobicContact CB-CD2 4.13Å; K805-L849 HydrophobicContact CG-CD2 3.94Å
806R92.6Very high91Very high10 Ų1037.2 Ų37.24%0.03818%0.176CC..Hα-helixtrans-62.7-47.1172.5179.7-152.1169.5-115.74.5110.9F704 L802 I803 D804 D808 K809 L810 Y846 L849 N850 L853F704-R806 VanDerWaalsContact CE1-CZ 3.46Å; F704-R806 VanDerWaalsContact CG-CZ 3.42Å; L802-R806 PolarHBondContact O-N 3.48Å; I803-R806 WeakPolarHBondContact O-CB 3.14Å; I803-R806 PolarHBondContact O-N 2.9Å; D804-R806 VanDerWaalsContact C-N 3.34Å; D804-R806 PolarHBondContact O-N 3.32Å; R806-D808 VanDerWaalsContact C-N 3.28Å; R806-D808 PolarHBondContact O-N 3.02Å; R806-K809 WeakPolarHBondContact O-CA 3.48Å; R806-K809 WeakPolarHBondContact O-CB 3.33Å; R806-K809 PolarHBondContact O-N 3.14Å; R806-L810 PolarHBondContact O-N 2.83Å; R806-Y846 HydrophobicContact CG-CD2 4.26Å; R806-Y846 HydrophobicContact CG-CE2 4Å; R806-Y846 PolarHBondContact NH2-OH 2.93Å; R806-L849 HydrophobicContact CB-CD2 4.04Å; R806-L849 HydrophobicContact CB-CG 4.18Å; R806-N850 PolarHBondContact NE-OD1 2.97Å; R806-N850 PolarHBondContact NH2-OD1 3.27Å; R806-L853 HydrophobicContact CB-CD1 3.78Å; R806-L853 HydrophobicContact CG-CD1 4.42Å
807R91.4Very high90.9Very high113 Ų11337 Ų3743%0.42617%0.174SC..Hα-helixtrans-57.4-42.8175.4-68.7170.1175161.4-5.5111.4I803 D804 K809 L810 L811I803-R807 WeakPolarHBondContact O-CG 3.25Å; I803-R807 PolarHBondContact O-N 3.31Å; D804-R807 WeakPolarHBondContact O-CB 3.46Å; D804-R807 PolarHBondContact O-N 2.69Å; D804-R807 IonicContact OD1-NH1 3.26Å; D804-R807 PolarHBondContact OD1-NH1 3.22Å; R807-K809 VanDerWaalsContact C-N 3.28Å; R807-K809 PolarHBondContact O-N 3.16Å; R807-L810 PolarHBondContact O-N 2.77Å; R807-L811 VanDerWaalsContact O-CG 3.31Å; R807-L811 WeakPolarHBondContact O-CG 3.37Å; R807-L811 PolarHBondContact O-N 2.88Å; R807-L811 VanDerWaalsContact O-N 3.14Å
808D90.1Very high90.9Very high42 Ų4232.6 Ų32.623%0.22516%0.162CC..Hα-helixtrans-58-37.7172.7-96.4-5.4000113R684 D804 K805 R806 L811 D812R684-D808 IonicContact CZ-OD2 2.77Å; R684-D808 IonicContact NH1-OD1 2.76Å; R684-D808 PolarHBondContact NH1-OD1 3.33Å; R684-D808 IonicContact NH1-OD2 3.36Å; R684-D808 PolarHBondContact NH1-OD2 2.96Å; D804-D808 PolarHBondContact O-N 2.82Å; K805-D808 VanDerWaalsContact O-CB 3.3Å; K805-D808 WeakPolarHBondContact O-CB 3.26Å; K805-D808 PolarHBondContact O-N 2.99Å; R806-D808 VanDerWaalsContact C-N 3.28Å; R806-D808 PolarHBondContact O-N 3.02Å; D808-L811 PolarHBondContact O-N 3.02Å; D808-D812 PolarHBondContact O-N 3.37Å
809K90.9Very high91Very high29 Ų2936 Ų3613%0.12618%0.175CC..Hα-helixtrans-75.3-38-179.9-69.7-72.3153.9-171.20113Y658 K805 R806 R807 L811 D812 W813 A845 Y846 L849Y658-K809 WeakPolarHBondContact OH-CE 3.33Å; Y658-K809 PolarHBondContact OH-NZ 3.49Å; K805-K809 VanDerWaalsContact O-CG 3.28Å; K805-K809 WeakPolarHBondContact O-CG 3.46Å; K805-K809 PolarHBondContact O-N 2.95Å; R806-K809 WeakPolarHBondContact O-CA 3.48Å; R806-K809 WeakPolarHBondContact O-CB 3.33Å; R806-K809 PolarHBondContact O-N 3.14Å; R807-K809 VanDerWaalsContact C-N 3.28Å; R807-K809 PolarHBondContact O-N 3.16Å; K809-L811 PolarHBondContact O-N 2.9Å; K809-D812 IonicContact NZ-OD2 3.21Å; K809-D812 PolarHBondContact NZ-OD2 2.82Å; K809-D812 PolarHBondContact O-N 2.97Å; K809-W813 PolarHBondContact O-N 2.99Å; K809-A845 HydrophobicContact CD-CB 4.38Å; K809-Y846 HydrophobicContact CB-CD2 4.48Å; K809-L849 HydrophobicContact CG-CD2 4.21Å
810L92.8Very high90.9Very high15 Ų1536.7 Ų36.78%0.07918%0.178CC..Hα-helixtrans-56.5-42.9170.1178.859.6000110.6R699 R806 R807 W813 E814 Y846R699-L810 HydrophobicContact CB-CD1 4.33Å; R699-L810 WeakPolarHBondContact O-CD2 3.45Å; R806-L810 PolarHBondContact O-N 2.83Å; R807-L810 PolarHBondContact O-N 2.77Å; L810-W813 HydrophobicContact CD1-CE3 3.91Å; L810-W813 HydrophobicContact CD1-CZ3 4.26Å; L810-W813 PolarHBondContact O-N 3.1Å; L810-E814 WeakPolarHBondContact O-CB 3.41Å; L810-E814 PolarHBondContact O-N 3.16Å; L810-Y846 HydrophobicContact CB-CD2 3.85Å; L810-Y846 HydrophobicContact CB-CE2 3.84Å; L810-Y846 HydrophobicContact CD1-CD2 4.4Å; L810-Y846 HydrophobicContact CD1-CE2 4.06Å; L810-Y846 HydrophobicContact CG-CE2 4.39Å
811L92Very high90.7Very high7 Ų739.3 Ų39.34%0.03718%0.184CC..Hα-helixtrans-69.3-37.4176.6-64.3165.1000112.9R684 V687 R688 L698 R807 D808 K809 W813 E814 V815R684-L811 HydrophobicContact CB-CB 4.07Å; R684-L811 HydrophobicContact CB-CD1 4.07Å; R684-L811 HydrophobicContact CG-CB 3.84Å; V687-L811 HydrophobicContact CB-CD2 4.05Å; V687-L811 HydrophobicContact CG1-CD2 3.72Å; R688-L811 VanDerWaalsContact CD-CD1 3.46Å; R688-L811 HydrophobicContact CG-CD1 3.38Å; R688-L811 HydrophobicContact CG-CD2 3.63Å; R688-L811 HydrophobicContact CG-CG 4.15Å; L698-L811 HydrophobicContact CD2-CD2 3.94Å; R807-L811 VanDerWaalsContact O-CG 3.31Å; R807-L811 WeakPolarHBondContact O-CG 3.37Å; R807-L811 PolarHBondContact O-N 2.88Å; R807-L811 VanDerWaalsContact O-N 3.14Å; D808-L811 PolarHBondContact O-N 3.02Å; K809-L811 PolarHBondContact O-N 2.9Å; L811-W813 VanDerWaalsContact C-N 3.31Å; L811-W813 PolarHBondContact O-N 3.39Å; L811-E814 PolarHBondContact O-N 2.96Å; L811-V815 WeakPolarHBondContact O-CB 3.29Å; L811-V815 VanDerWaalsContact O-CG2 3.25Å; L811-V815 WeakPolarHBondContact O-CG2 3.49Å; L811-V815 PolarHBondContact O-N 3Å
812D92Very high90.7Very high28 Ų2841.7 Ų41.715%0.1520%0.195CC..Hα-helixtrans-60.1-43.1173.3-76.3-20.2000110.8R684 D808 K809 A816R684-D812 IonicContact CZ-OD1 3.02Å; R684-D812 IonicContact CZ-OD2 3.58Å; R684-D812 IonicContact NE-OD1 2.63Å; R684-D812 PolarHBondContact NE-OD1 2.78Å; R684-D812 IonicContact NE-OD2 2.78Å; R684-D812 VanDerWaalsContact NH2-CG 3.34Å; R684-D812 IonicContact NH2-OD1 2.95Å; R684-D812 PolarHBondContact NH2-OD1 2.94Å; R684-D812 VanDerWaalsContact NH2-OD1 3.09Å; R684-D812 IonicContact NH2-OD2 3.99Å; R684-D812 PolarHBondContact NH2-OD2 3.29Å; D808-D812 PolarHBondContact O-N 3.37Å; K809-D812 IonicContact NZ-OD2 3.21Å; K809-D812 PolarHBondContact NZ-OD2 2.82Å; K809-D812 PolarHBondContact O-N 2.97Å; D812-A816 PolarHBondContact O-N 3.35Å; D812-A816 VanDerWaalsContact O-N 3.09Å
813W93.8Very high90.6Very high25 Ų2542 Ų4210%0.09520%0.197CC..Hα-helixtrans-66.2-41.5176177.637.5000112.3R699 K809 L810 L811 V815 A816 T817 A842 Q843 Y846R699-W813 VanDerWaalsContact CD-CH2 3.45Å; R699-W813 VanDerWaalsContact CD-CZ3 3.43Å; K809-W813 PolarHBondContact O-N 2.99Å; L810-W813 HydrophobicContact CD1-CE3 3.91Å; L810-W813 HydrophobicContact CD1-CZ3 4.26Å; L810-W813 PolarHBondContact O-N 3.1Å; L811-W813 VanDerWaalsContact C-N 3.31Å; L811-W813 PolarHBondContact O-N 3.39Å; W813-V815 PolarHBondContact O-N 3.41Å; W813-A816 WeakPolarHBondContact O-CB 3.27Å; W813-A816 PolarHBondContact O-N 2.85Å; W813-A816 VanDerWaalsContact O-N 3.16Å; W813-T817 WeakPolarHBondContact O-CB 3.33Å; W813-T817 PolarHBondContact O-N 2.91Å; W813-T817 PolarHBondContact O-OG1 3.39Å; W813-A842 HydrophobicContact CB-CB 4.07Å; W813-Q843 HydrophobicContact CD2-CB 4.3Å; W813-Q843 HydrophobicContact CG-CB 4.29Å; W813-Q843 HydrophobicContact CZ2-CB 4.38Å; W813-Q843 HydrophobicContact CZ2-CG 3.95Å; W813-Y846 AromaticContact CE3-CD1 4Å; W813-Y846 HydrophobicContact CE3-CD1 4Å; W813-Y846 HydrophobicContact CE3-CE1 4.42Å; W813-Y846 HydrophobicContact CE3-CG 4.4Å; W813-Y846 HydrophobicContact CZ3-CD1 4.06Å; W813-Y846 HydrophobicContact CZ3-CE1 4.11Å
814E91.9Very high90.1Very high16 Ų1645.3 Ų45.38%0.07522%0.217CC..Hα-helixtrans-65.1-40177.3-164.655.8-145.200112.1V687 L698 R699 L810 L811 A816 T817 N818V687-E814 HydrophobicContact CG1-CB 4.09Å; V687-E814 HydrophobicContact CG1-CG 3.63Å; L698-E814 HydrophobicContact CD2-CG 4.33Å; R699-E814 IonicContact CZ-OE2 3.81Å; R699-E814 IonicContact NH1-OE2 3.44Å; R699-E814 PolarHBondContact NH1-OE2 2.9Å; R699-E814 IonicContact NH2-OE2 2.97Å; L810-E814 WeakPolarHBondContact O-CB 3.41Å; L810-E814 PolarHBondContact O-N 3.16Å; L811-E814 PolarHBondContact O-N 2.96Å; E814-A816 VanDerWaalsContact C-N 3.33Å; E814-A816 PolarHBondContact O-N 3.17Å; E814-T817 PolarHBondContact O-N 3.23Å; E814-N818 WeakPolarHBondContact O-CB 3.39Å; E814-N818 PolarHBondContact O-N 2.85Å; E814-N818 PolarHBondContact O-ND2 3.42Å; E814-N818 PolarHBondContact OE1-ND2 2.7Å
815V92Very high89.8Confident20 Ų2049.7 Ų49.712%0.12123%0.232CC..Hα-helixtrans-61.7-41.3172.3169.30000111.2V687 L811 W813 K819V687-V815 HydrophobicContact CG2-CG2 3.53Å; L811-V815 WeakPolarHBondContact O-CB 3.29Å; L811-V815 VanDerWaalsContact O-CG2 3.25Å; L811-V815 WeakPolarHBondContact O-CG2 3.49Å; L811-V815 PolarHBondContact O-N 3Å; W813-V815 PolarHBondContact O-N 3.41Å; V815-K819 HydrophobicContact CG1-CD 4.43Å; V815-K819 WeakPolarHBondContact O-CG 3.33Å; V815-K819 PolarHBondContact O-N 2.91Å; V815-K819 VanDerWaalsContact O-N 3.16Å
816A92.2Very high89.6Confident10 Ų1052.4 Ų52.48%0.08325%0.249CC..Hα-helixtrans-66.5-43.9177.800000111.5D812 W813 E814 N818 K819 F820 M839 A842D812-A816 PolarHBondContact O-N 3.35Å; D812-A816 VanDerWaalsContact O-N 3.09Å; W813-A816 WeakPolarHBondContact O-CB 3.27Å; W813-A816 PolarHBondContact O-N 2.85Å; W813-A816 VanDerWaalsContact O-N 3.16Å; E814-A816 VanDerWaalsContact C-N 3.33Å; E814-A816 PolarHBondContact O-N 3.17Å; A816-N818 PolarHBondContact O-N 3.43Å; A816-K819 PolarHBondContact O-N 3.49Å; A816-F820 PolarHBondContact O-N 3.24Å; A816-M839 HydrophobicContact CB-CB 4.31Å; A816-A842 HydrophobicContact CB-CB 4.21Å
817T90.8Very high89.1Confident4 Ų453.5 Ų53.53%0.02526%0.264CS..Hα-helixtrans-58.6-48.7176.3-56.20000111.1W813 E814 K819 F820 Q821 M839W813-T817 WeakPolarHBondContact O-CB 3.33Å; W813-T817 PolarHBondContact O-N 2.91Å; W813-T817 PolarHBondContact O-OG1 3.39Å; E814-T817 PolarHBondContact O-N 3.23Å; T817-K819 VanDerWaalsContact C-N 3.31Å; T817-K819 PolarHBondContact O-N 3.21Å; T817-F820 WeakPolarHBondContact O-CB 3.45Å; T817-F820 PolarHBondContact O-N 2.92Å; T817-Q821 HydrophobicContact CG2-CG 4.41Å; T817-Q821 WeakPolarHBondContact O-CG 3.49Å; T817-Q821 PolarHBondContact O-N 3.47Å; T817-M839 HydrophobicContact CG2-CE 4.37Å
818N89.7Confident88.5Confident63 Ų6351.2 Ų51.234%0.33726%0.26SS..Hα-helixtrans-62-37178.6-79.1-57.1000112.8E814 A816 K822E814-N818 WeakPolarHBondContact O-CB 3.39Å; E814-N818 PolarHBondContact O-N 2.85Å; E814-N818 PolarHBondContact O-ND2 3.42Å; E814-N818 PolarHBondContact OE1-ND2 2.7Å; A816-N818 PolarHBondContact O-N 3.43Å; N818-K822 VanDerWaalsContact O-CB 3.26Å; N818-K822 WeakPolarHBondContact O-CB 3.43Å; N818-K822 PolarHBondContact O-N 2.93Å
819K89.4Confident87.9Confident101 Ų10158.1 Ų58.144%0.43928%0.284SS..Hα-helixtrans-67.2-43.3174.4-74.3174.2-177.2174.10112.1V815 A816 T817 K822 A823 L835V815-K819 HydrophobicContact CG1-CD 4.43Å; V815-K819 WeakPolarHBondContact O-CG 3.33Å; V815-K819 PolarHBondContact O-N 2.91Å; V815-K819 VanDerWaalsContact O-N 3.16Å; A816-K819 PolarHBondContact O-N 3.49Å; T817-K819 VanDerWaalsContact C-N 3.31Å; T817-K819 PolarHBondContact O-N 3.21Å; K819-K822 PolarHBondContact O-N 3.46Å; K819-A823 WeakPolarHBondContact O-CB 3.36Å; K819-A823 PolarHBondContact O-N 2.94Å; K819-L835 HydrophobicContact CB-CD2 4.09Å
820F89.3Confident87.4Confident22 Ų2263.6 Ų63.610%0.09632%0.32CS..Hα-helixtrans-60-54.4176.7179-97.8000110.5A816 T817 K822 A823 T824 L832 L835 M839 P1013A816-F820 PolarHBondContact O-N 3.24Å; T817-F820 WeakPolarHBondContact O-CB 3.45Å; T817-F820 PolarHBondContact O-N 2.92Å; F820-K822 VanDerWaalsContact C-N 3.28Å; F820-K822 PolarHBondContact O-N 3.36Å; F820-A823 WeakPolarHBondContact O-CB 3.18Å; F820-A823 PolarHBondContact O-N 3.19Å; F820-T824 PolarHBondContact O-N 2.91Å; F820-T824 PolarHBondContact O-OG1 3.24Å; F820-L832 HydrophobicContact CD2-CD1 3.79Å; F820-L832 HydrophobicContact CD2-CG 4.49Å; F820-L832 HydrophobicContact CE2-CD1 3.27Å; F820-L832 HydrophobicContact CE2-CG 3.67Å; F820-L832 HydrophobicContact CZ-CD1 3.72Å; F820-L832 HydrophobicContact CZ-CG 4.2Å; F820-L835 HydrophobicContact CB-CB 4.45Å; F820-L835 HydrophobicContact CD2-CB 4.08Å; F820-M839 HydrophobicContact CB-SD 4.32Å; F820-M839 HydrophobicContact CD1-SD 4.23Å; F820-M839 HydrophobicContact CG-SD 4.27Å; F820-P1013 HydrophobicContact CE1-CG 4.01Å; F820-P1013 HydrophobicContact CZ-CG 3.75Å
821Q87.3Confident87Confident93 Ų9368.7 Ų68.744%0.43534%0.341SS..Hα-helixtrans-57.6-39.3178.4-71.2-179.7-4.900112.9T817 T824 K825T817-Q821 HydrophobicContact CG2-CG 4.41Å; T817-Q821 WeakPolarHBondContact O-CG 3.49Å; T817-Q821 PolarHBondContact O-N 3.47Å; Q821-T824 PolarHBondContact O-N 3.46Å; Q821-K825 WeakPolarHBondContact O-CG 3.21Å; Q821-K825 PolarHBondContact O-N 2.86Å
822K87Confident86.6Confident140 Ų14070.2 Ų70.261%0.60935%0.349SS*.Hα-helixtrans-65.8-40.2176-173.2174.3-178.8174.70112.1N818 K819 F820 K825 N826N818-K822 VanDerWaalsContact O-CB 3.26Å; N818-K822 WeakPolarHBondContact O-CB 3.43Å; N818-K822 PolarHBondContact O-N 2.93Å; K819-K822 PolarHBondContact O-N 3.46Å; F820-K822 VanDerWaalsContact C-N 3.28Å; F820-K822 PolarHBondContact O-N 3.36Å; K822-K825 PolarHBondContact O-N 2.85Å; K822-N826 WeakPolarHBondContact O-CB 3.46Å; K822-N826 PolarHBondContact O-N 2.63Å; K822-N826 VanDerWaalsContact O-N 3.07Å; K822-N826 PolarHBondContact O-OD1 3Å
823A87.2Confident86.2Confident6 Ų674.1 Ų74.15%0.0537%0.374CS..Hα-helixtrans-67.1-39.7176.100000111.9K819 F820 N826 G827 D828 L835K819-A823 WeakPolarHBondContact O-CB 3.36Å; K819-A823 PolarHBondContact O-N 2.94Å; F820-A823 WeakPolarHBondContact O-CB 3.18Å; F820-A823 PolarHBondContact O-N 3.19Å; A823-N826 PolarHBondContact O-N 3.09Å; A823-G827 PolarHBondContact O-N 3.2Å; A823-D828 HydrophobicContact CB-CB 4.31Å; A823-D828 PolarHBondContact O-N 2.99Å; A823-D828 VanDerWaalsContact O-N 3.08Å; A823-L835 HydrophobicContact CB-CD1 3.44Å; A823-L835 VanDerWaalsContact CB-CD1 3.44Å
824T82.4Confident86Confident75 Ų7575.3 Ų75.346%0.4639%0.389SS..Hα-helixtrans-59.5-47.4173.5-47.80000111.2F820 Q821 N826 G827 L832F820-T824 PolarHBondContact O-N 2.91Å; F820-T824 PolarHBondContact O-OG1 3.24Å; Q821-T824 PolarHBondContact O-N 3.46Å; T824-N826 VanDerWaalsContact C-N 3.25Å; T824-N826 PolarHBondContact O-N 2.77Å; T824-G827 PolarHBondContact O-N 2.76Å; T824-L832 WeakPolarHBondContact OG1-CD1 3.47Å
825K83.3Confident85.9Confident179 Ų17975.9 Ų75.978%0.77839%0.393SS*.Hα-helixtrans-62.8-30.9177-73.7177-178.9-179.90113.3Q821 K822Q821-K825 WeakPolarHBondContact O-CG 3.21Å; Q821-K825 PolarHBondContact O-N 2.86Å; K822-K825 PolarHBondContact O-N 2.85Å
826N84.4Confident85.8Confident103 Ų10376 Ų7655%0.55139%0.394SS*.Hα-helixtrans-85.1-10.5179.1-70.4-2.4000113.6K822 A823 T824K822-N826 WeakPolarHBondContact O-CB 3.46Å; K822-N826 PolarHBondContact O-N 2.63Å; K822-N826 VanDerWaalsContact O-N 3.07Å; K822-N826 PolarHBondContact O-OD1 3Å; A823-N826 PolarHBondContact O-N 3.09Å; T824-N826 VanDerWaalsContact C-N 3.25Å; T824-N826 PolarHBondContact O-N 2.77Å
827G81.3Confident85.6Confident33 Ų3381.3 Ų81.334%0.3442%0.417SS..THydrogen-bonded Turntrans72.823.7-175.300000114.6A823 T824 Y829A823-G827 PolarHBondContact O-N 3.2Å; T824-G827 PolarHBondContact O-N 2.76Å; G827-Y829 VanDerWaalsContact C-N 3.27Å; G827-Y829 WeakPolarHBondContact O-CD2 3.5Å; G827-Y829 PolarHBondContact O-N 2.84Å
828D80Confident85.5Confident64 Ų6486.1 Ų86.134%0.34244%0.439SS..  trans-79.762.8-178.3-85.6-8000111.9A823 V830 K831 L832A823-D828 HydrophobicContact CB-CB 4.31Å; A823-D828 PolarHBondContact O-N 2.99Å; A823-D828 VanDerWaalsContact O-N 3.08Å; D828-V830 PolarHBondContact O-N 2.69Å; D828-V830 VanDerWaalsContact O-N 3.11Å; D828-K831 PolarHBondContact O-N 3.26Å; D828-K831 IonicContact OD2-NZ 3.58Å; D828-L832 PolarHBondContact O-N 2.81Å
829Y76.3Confident85.5Confident187 Ų18784.7 Ų84.773%0.73343%0.431SS*.Hα-helixtrans-55.3-33.8-174.6-64-78.4000114G827 K831 L832G827-Y829 VanDerWaalsContact C-N 3.27Å; G827-Y829 WeakPolarHBondContact O-CD2 3.5Å; G827-Y829 PolarHBondContact O-N 2.84Å; Y829-K831 PolarHBondContact O-N 2.9Å; Y829-L832 HydrophobicContact CD1-CD2 4.46Å; Y829-L832 WeakPolarHBondContact O-CB 3.4Å; Y829-L832 PolarHBondContact O-N 2.93Å; Y829-L832 VanDerWaalsContact O-N 3.15Å
830V81.2Confident85.5Confident145 Ų14585.7 Ų85.788%0.87944%0.436SS*.Hα-helixtrans-60.5-33.4178.5-177.40000112.4D828D828-V830 PolarHBondContact O-N 2.69Å; D828-V830 VanDerWaalsContact O-N 3.11Å
831K83.8Confident85.4Confident122 Ų12289.2 Ų89.253%0.5346%0.455SS..Hα-helixtrans-92.4-13.2-179.7-66.8175.6-172.2155.70112.7D828 Y829 T833 A834 L835D828-K831 PolarHBondContact O-N 3.26Å; D828-K831 IonicContact OD2-NZ 3.58Å; Y829-K831 PolarHBondContact O-N 2.9Å; K831-T833 PolarHBondContact O-N 3.12Å; K831-A834 PolarHBondContact O-N 3.21Å; K831-L835 HydrophobicContact CB-CD1 4.24Å; K831-L835 WeakPolarHBondContact O-CB 3.24Å; K831-L835 WeakPolarHBondContact O-CG 3.46Å; K831-L835 PolarHBondContact O-N 3.37Å
832L84Confident85.5Confident38 Ų3885.6 Ų85.620%0.19944%0.441CS..Hα-helixtrans-63.9-43.6-170.4-164.470.3000111.6F820 T824 D828 Y829 A834 L835 S836F820-L832 HydrophobicContact CD2-CD1 3.79Å; F820-L832 HydrophobicContact CD2-CG 4.49Å; F820-L832 HydrophobicContact CE2-CD1 3.27Å; F820-L832 HydrophobicContact CE2-CG 3.67Å; F820-L832 HydrophobicContact CZ-CD1 3.72Å; F820-L832 HydrophobicContact CZ-CG 4.2Å; T824-L832 WeakPolarHBondContact OG1-CD1 3.47Å; D828-L832 PolarHBondContact O-N 2.81Å; Y829-L832 HydrophobicContact CD1-CD2 4.46Å; Y829-L832 WeakPolarHBondContact O-CB 3.4Å; Y829-L832 PolarHBondContact O-N 2.93Å; Y829-L832 VanDerWaalsContact O-N 3.15Å; L832-A834 PolarHBondContact O-N 2.87Å; L832-L835 PolarHBondContact O-N 2.81Å; L832-S836 VanDerWaalsContact O-CB 3.22Å; L832-S836 WeakPolarHBondContact O-CB 3.41Å; L832-S836 PolarHBondContact O-N 3.01Å
833T83.7Confident85.7Confident111 Ų11182.2 Ų82.268%0.68143%0.428SS*.Hα-helixtrans-60.2-47.2177.1-47.30000111.7K831 L835 S836 E837K831-T833 PolarHBondContact O-N 3.12Å; T833-L835 PolarHBondContact O-N 3.49Å; T833-S836 PolarHBondContact O-N 3.23Å; T833-E837 PolarHBondContact O-N 3.21Å
834A88.2Confident85.7Confident50 Ų5083 Ų8341%0.41344%0.435SS..Hα-helixtrans-67.4-36.7179.700000112.8K831 L832 Q838K831-A834 PolarHBondContact O-N 3.21Å; L832-A834 PolarHBondContact O-N 2.87Å; A834-Q838 VanDerWaalsContact O-CG 3.29Å; A834-Q838 WeakPolarHBondContact O-CG 3.46Å; A834-Q838 PolarHBondContact O-N 2.7Å
835L89.9Confident85.9Confident27 Ų2780.5 Ų80.514%0.14142%0.421CS..Hα-helixtrans-72.9-35.9175.9-71.8173.6000112.2K819 F820 A823 K831 L832 T833 Q838 M839K819-L835 HydrophobicContact CB-CD2 4.09Å; F820-L835 HydrophobicContact CB-CB 4.45Å; F820-L835 HydrophobicContact CD2-CB 4.08Å; A823-L835 HydrophobicContact CB-CD1 3.44Å; A823-L835 VanDerWaalsContact CB-CD1 3.44Å; K831-L835 HydrophobicContact CB-CD1 4.24Å; K831-L835 WeakPolarHBondContact O-CB 3.24Å; K831-L835 WeakPolarHBondContact O-CG 3.46Å; K831-L835 PolarHBondContact O-N 3.37Å; L832-L835 PolarHBondContact O-N 2.81Å; T833-L835 PolarHBondContact O-N 3.49Å; L835-Q838 PolarHBondContact O-N 3.34Å; L835-M839 WeakPolarHBondContact O-CB 3.5Å; L835-M839 PolarHBondContact O-N 3.4Å
836S89.6Confident86.3Confident22 Ų2272.6 Ų72.615%0.15439%0.386CS..Hα-helixtrans-61.4-46.8173.2-1770000110.5L832 T833 Q838 M839 K840L832-S836 VanDerWaalsContact O-CB 3.22Å; L832-S836 WeakPolarHBondContact O-CB 3.41Å; L832-S836 PolarHBondContact O-N 3.01Å; T833-S836 PolarHBondContact O-N 3.23Å; S836-Q838 PolarHBondContact O-N 2.98Å; S836-M839 WeakPolarHBondContact O-CB 3.41Å; S836-M839 PolarHBondContact O-N 3.16Å; S836-M839 VanDerWaalsContact O-N 3.17Å; S836-K840 WeakPolarHBondContact O-CG 3.21Å; S836-K840 PolarHBondContact O-N 2.94Å
837E88.3Confident86.5Confident122 Ų12270 Ų7057%0.5737%0.373SS*.Hα-helixtrans-62.9-40.8175.4-169.6-179.9178.100112.1T833 M839 K840 N841T833-E837 PolarHBondContact O-N 3.21Å; E837-M839 VanDerWaalsContact C-N 3.33Å; E837-M839 PolarHBondContact O-N 2.85Å; E837-K840 PolarHBondContact O-N 2.98Å; E837-N841 WeakPolarHBondContact O-CB 3.41Å; E837-N841 VanDerWaalsContact O-CG 3.27Å; E837-N841 PolarHBondContact O-N 3.42Å; E837-N841 PolarHBondContact O-ND2 3.47Å; E837-N841 VanDerWaalsContact O-ND2 3.16Å
838Q89.5Confident86.6Confident105 Ų10568.5 Ų68.549%0.49136%0.357SS..Hα-helixtrans-62.3-39.2173.7-76.6177.715.900112.7A834 L835 S836 A842A834-Q838 VanDerWaalsContact O-CG 3.29Å; A834-Q838 WeakPolarHBondContact O-CG 3.46Å; A834-Q838 PolarHBondContact O-N 2.7Å; L835-Q838 PolarHBondContact O-N 3.34Å; S836-Q838 PolarHBondContact O-N 2.98Å; Q838-A842 WeakPolarHBondContact O-CB 3.42Å; Q838-A842 PolarHBondContact O-N 2.91Å
839M90.3Very high87Confident33 Ų3365.5 Ų65.516%0.16334%0.341CS..Hα-helixtrans-65.6-49.9176.1177.3179.7164.300110.9A816 T817 F820 L835 S836 E837 N841 A842 Q843A816-M839 HydrophobicContact CB-CB 4.31Å; T817-M839 HydrophobicContact CG2-CE 4.37Å; F820-M839 HydrophobicContact CB-SD 4.32Å; F820-M839 HydrophobicContact CD1-SD 4.23Å; F820-M839 HydrophobicContact CG-SD 4.27Å; L835-M839 WeakPolarHBondContact O-CB 3.5Å; L835-M839 PolarHBondContact O-N 3.4Å; S836-M839 WeakPolarHBondContact O-CB 3.41Å; S836-M839 PolarHBondContact O-N 3.16Å; S836-M839 VanDerWaalsContact O-N 3.17Å; E837-M839 VanDerWaalsContact C-N 3.33Å; E837-M839 PolarHBondContact O-N 2.85Å; M839-N841 VanDerWaalsContact C-N 3.33Å; M839-N841 PolarHBondContact O-N 3.36Å; M839-A842 PolarHBondContact O-N 3.44Å; M839-A842 VanDerWaalsContact O-N 3.15Å; M839-Q843 WeakPolarHBondContact O-CB 3.47Å; M839-Q843 PolarHBondContact O-N 2.91Å
840K88.8Confident87.8Confident123 Ų12356.6 Ų56.654%0.53531%0.306SS..Hα-helixtrans-58.1-43.9177.2-71.6-173.1179.5-168.90111.7S836 E837 A842 Q843 A844S836-K840 WeakPolarHBondContact O-CG 3.21Å; S836-K840 PolarHBondContact O-N 2.94Å; E837-K840 PolarHBondContact O-N 2.98Å; K840-A842 PolarHBondContact O-N 2.94Å; K840-Q843 PolarHBondContact O-N 2.94Å; K840-A844 VanDerWaalsContact O-CB 3.31Å; K840-A844 WeakPolarHBondContact O-CB 3.46Å; K840-A844 PolarHBondContact O-N 3.35Å
841N87.4Confident88.1Confident95 Ų9553.8 Ų53.851%0.50828%0.283SS..Hα-helixtrans-65.4-36.7176.9-75.8-32.1000113.1E837 M839 A845E837-N841 WeakPolarHBondContact O-CB 3.41Å; E837-N841 VanDerWaalsContact O-CG 3.27Å; E837-N841 PolarHBondContact O-N 3.42Å; E837-N841 PolarHBondContact O-ND2 3.47Å; E837-N841 VanDerWaalsContact O-ND2 3.16Å; M839-N841 VanDerWaalsContact C-N 3.33Å; M839-N841 PolarHBondContact O-N 3.36Å; N841-A845 WeakPolarHBondContact O-CB 3.34Å; N841-A845 PolarHBondContact O-N 2.93Å; N841-A845 VanDerWaalsContact O-N 3.16Å
842A89.7Confident88.1Confident17 Ų1750.3 Ų50.314%0.1427%0.269CS..Hα-helixtrans-71.3-41.317700000112W813 A816 Q838 M839 K840 A845 Y846W813-A842 HydrophobicContact CB-CB 4.07Å; A816-A842 HydrophobicContact CB-CB 4.21Å; Q838-A842 WeakPolarHBondContact O-CB 3.42Å; Q838-A842 PolarHBondContact O-N 2.91Å; M839-A842 PolarHBondContact O-N 3.44Å; M839-A842 VanDerWaalsContact O-N 3.15Å; K840-A842 PolarHBondContact O-N 2.94Å; A842-A845 PolarHBondContact O-N 3.33Å; A842-Y846 PolarHBondContact O-N 3.38Å; A842-Y846 VanDerWaalsContact O-N 3.09Å
843Q91.4Very high88.4Confident70 Ų7048.6 Ų48.633%0.32726%0.26SS..Hα-helixtrans-58.3-54.5173.3179.8178.4-6.300110.5W813 M839 K840 A845 Y846 D847W813-Q843 HydrophobicContact CD2-CB 4.3Å; W813-Q843 HydrophobicContact CG-CB 4.29Å; W813-Q843 HydrophobicContact CZ2-CB 4.38Å; W813-Q843 HydrophobicContact CZ2-CG 3.95Å; M839-Q843 WeakPolarHBondContact O-CB 3.47Å; M839-Q843 PolarHBondContact O-N 2.91Å; K840-Q843 PolarHBondContact O-N 2.94Å; Q843-A845 PolarHBondContact O-N 2.92Å; Q843-Y846 CarbonylContact O-C 3.46Å; Q843-Y846 WeakPolarHBondContact O-CA 3.34Å; Q843-Y846 WeakPolarHBondContact O-CB 3.43Å; Q843-Y846 PolarHBondContact O-N 3.16Å; Q843-D847 WeakPolarHBondContact CG-OD2 3.26Å; Q843-D847 PolarHBondContact O-N 2.91Å
844A86.1Confident88.7Confident23 Ų2344.5 Ų44.519%0.1923%0.234CC..Hα-helixtrans-63-32.5-176.400000112.5R650 K840 A848R650-A844 VanDerWaalsContact NH2-CB 3.3Å; K840-A844 VanDerWaalsContact O-CB 3.31Å; K840-A844 WeakPolarHBondContact O-CB 3.46Å; K840-A844 PolarHBondContact O-N 3.35Å; A844-A848 WeakPolarHBondContact O-CB 3.39Å; A844-A848 PolarHBondContact O-N 3.41Å
845A86.6Confident88.7Confident21 Ų2146.3 Ų46.317%0.17424%0.239CC..Hα-helixtrans-71.7-28.1173.200000113.8L654 K809 N841 A842 Q843L654-A845 HydrophobicContact CD2-CB 4.3Å; K809-A845 HydrophobicContact CD-CB 4.38Å; N841-A845 WeakPolarHBondContact O-CB 3.34Å; N841-A845 PolarHBondContact O-N 2.93Å; N841-A845 VanDerWaalsContact O-N 3.16Å; A842-A845 PolarHBondContact O-N 3.33Å; Q843-A845 PolarHBondContact O-N 2.92Å
846Y91.7Very high88.6Confident13 Ų1346.3 Ų46.35%0.05124%0.239CC..Hα-helixtrans-74.5-52.1171.6162.1-96.5000110.3R806 K809 L810 W813 A842 Q843 A848 L849 N850R806-Y846 HydrophobicContact CG-CD2 4.26Å; R806-Y846 HydrophobicContact CG-CE2 4Å; R806-Y846 PolarHBondContact NH2-OH 2.93Å; K809-Y846 HydrophobicContact CB-CD2 4.48Å; L810-Y846 HydrophobicContact CB-CD2 3.85Å; L810-Y846 HydrophobicContact CB-CE2 3.84Å; L810-Y846 HydrophobicContact CD1-CD2 4.4Å; L810-Y846 HydrophobicContact CD1-CE2 4.06Å; L810-Y846 HydrophobicContact CG-CE2 4.39Å; W813-Y846 AromaticContact CE3-CD1 4Å; W813-Y846 HydrophobicContact CE3-CD1 4Å; W813-Y846 HydrophobicContact CE3-CE1 4.42Å; W813-Y846 HydrophobicContact CE3-CG 4.4Å; W813-Y846 HydrophobicContact CZ3-CD1 4.06Å; W813-Y846 HydrophobicContact CZ3-CE1 4.11Å; A842-Y846 PolarHBondContact O-N 3.38Å; A842-Y846 VanDerWaalsContact O-N 3.09Å; Q843-Y846 CarbonylContact O-C 3.46Å; Q843-Y846 WeakPolarHBondContact O-CA 3.34Å; Q843-Y846 WeakPolarHBondContact O-CB 3.43Å; Q843-Y846 PolarHBondContact O-N 3.16Å; Y846-A848 VanDerWaalsContact C-N 3.32Å; Y846-A848 PolarHBondContact O-N 3.02Å; Y846-L849 PolarHBondContact O-N 3.39Å; Y846-N850 HydrophobicContact CE1-CB 4.37Å; Y846-N850 HydrophobicContact CE2-CB 4.39Å; Y846-N850 WeakPolarHBondContact O-CB 3.02Å; Y846-N850 PolarHBondContact O-N 3.01Å; Y846-N850 PolarHBondContact OH-OD1 2.65Å
847D88.1Confident88.8Confident50 Ų5045.5 Ų45.527%0.26723%0.233SC..Hα-helixtrans-57.6-46.3-178.7-65.4-22.3000110.7Q843 L849 N850 E851Q843-D847 WeakPolarHBondContact CG-OD2 3.26Å; Q843-D847 PolarHBondContact O-N 2.91Å; D847-L849 VanDerWaalsContact C-N 3.27Å; D847-L849 PolarHBondContact O-N 3.1Å; D847-N850 PolarHBondContact O-N 3.09Å; D847-E851 WeakPolarHBondContact O-CG 3.48Å; D847-E851 PolarHBondContact O-N 3.06Å
848A84.5Confident88.9Confident1 Ų142.1 Ų42.11%0.00823%0.226CC..Hα-helixtrans-53.7-42175.600000113.7R651 L654 A844 Y846R651-A848 HydrophobicContact CB-CB 4.18Å; R651-A848 HydrophobicContact CG-CB 3.63Å; L654-A848 HydrophobicContact CD2-CB 3.76Å; A844-A848 WeakPolarHBondContact O-CB 3.39Å; A844-A848 PolarHBondContact O-N 3.41Å; Y846-A848 VanDerWaalsContact C-N 3.32Å; Y846-A848 PolarHBondContact O-N 3.02Å
849L88.6Confident88.9Confident0 Ų040.5 Ų40.50%023%0.226CC..Hα-helixtrans-81.1-34.4-179.7-176.357.1000111.8V655 Y658 K805 R806 K809 Y846 D847 L853V655-L849 HydrophobicContact CG2-CD1 4.36Å; Y658-L849 HydrophobicContact CD2-CD1 3.99Å; Y658-L849 HydrophobicContact CD2-CD2 4.02Å; Y658-L849 HydrophobicContact CE2-CD2 4.06Å; K805-L849 HydrophobicContact CB-CD2 4.13Å; K805-L849 HydrophobicContact CG-CD2 3.94Å; R806-L849 HydrophobicContact CB-CD2 4.04Å; R806-L849 HydrophobicContact CB-CG 4.18Å; K809-L849 HydrophobicContact CG-CD2 4.21Å; Y846-L849 PolarHBondContact O-N 3.39Å; D847-L849 VanDerWaalsContact C-N 3.27Å; D847-L849 PolarHBondContact O-N 3.1Å; L849-L853 HydrophobicContact CD1-CD1 3.83Å; L849-L853 HydrophobicContact CD1-CG 4.05Å; L849-L853 HydrophobicContact CG-CD1 3.83Å; L849-L853 HydrophobicContact CG-CG 4.46Å; L849-L853 VanDerWaalsContact O-CB 3.27Å; L849-L853 WeakPolarHBondContact O-CB 3.46Å; L849-L853 WeakPolarHBondContact O-CD1 3.4Å; L849-L853 WeakPolarHBondContact O-CG 3.36Å; L849-L853 PolarHBondContact O-N 2.8Å; L849-L853 VanDerWaalsContact O-N 3.11Å
850N91.7Very high89.1Confident1 Ų139.2 Ų39.21%0.00522%0.22CC..Hα-helixtrans-62.7-55.3177.7-176.579.6000111.2N701 R806 Y846 D847 Q852 L853 I854N701-N850 PolarHBondContact ND2-ND2 2.78Å; R806-N850 PolarHBondContact NE-OD1 2.97Å; R806-N850 PolarHBondContact NH2-OD1 3.27Å; Y846-N850 HydrophobicContact CE1-CB 4.37Å; Y846-N850 HydrophobicContact CE2-CB 4.39Å; Y846-N850 WeakPolarHBondContact O-CB 3.02Å; Y846-N850 PolarHBondContact O-N 3.01Å; Y846-N850 PolarHBondContact OH-OD1 2.65Å; D847-N850 PolarHBondContact O-N 3.09Å; N850-Q852 PolarHBondContact O-N 3.16Å; N850-L853 PolarHBondContact O-N 3.09Å; N850-I854 WeakPolarHBondContact O-CG1 3.45Å; N850-I854 PolarHBondContact O-N 3.03Å; N850-I854 VanDerWaalsContact O-N 3.08Å
851E86.9Confident89.4Confident86 Ų8635.8 Ų35.840%0.40221%0.206SC..Hα-helixtrans-61.4-46.3-175.8-65.6-49120.900111.8D847 L853 I854 V855D847-E851 WeakPolarHBondContact O-CG 3.48Å; D847-E851 PolarHBondContact O-N 3.06Å; E851-L853 VanDerWaalsContact C-N 3.33Å; E851-L853 PolarHBondContact O-N 3.25Å; E851-I854 PolarHBondContact O-N 3.27Å; E851-V855 PolarHBondContact O-N 2.51Å
852Q84.8Confident89.7Confident49 Ų4935 Ų3523%0.22920%0.204CC..Hα-helixtrans-66.6-35.8178.1-17261.650.800112.1V655 N850 I854 V855 D856V655-Q852 HydrophobicContact CB-CG 4.14Å; V655-Q852 HydrophobicContact CG1-CG 3.84Å; V655-Q852 HydrophobicContact CG2-CB 3.58Å; V655-Q852 HydrophobicContact CG2-CG 3.63Å; N850-Q852 PolarHBondContact O-N 3.16Å; Q852-I854 VanDerWaalsContact C-N 3.33Å; Q852-I854 PolarHBondContact O-N 2.88Å; Q852-V855 PolarHBondContact O-N 3.17Å; Q852-D856 PolarHBondContact NE2-OD1 2.75Å; Q852-D856 WeakPolarHBondContact O-CB 3.49Å; Q852-D856 PolarHBondContact O-N 2.81Å
853L89.5Confident89.9Confident1 Ų138.6 Ų38.61%0.00522%0.22CC..Hα-helixtrans-67.4-34.6178.3-80.5171000112.6F704 L802 R806 L849 N850 E851 V855 D856 L857F704-L853 HydrophobicContact CE2-CB 4.07Å; F704-L853 HydrophobicContact CE2-CD1 4.37Å; L802-L853 HydrophobicContact CB-CD1 4.17Å; L802-L853 HydrophobicContact CB-CD2 3.52Å; L802-L853 HydrophobicContact CB-CG 4.39Å; L802-L853 HydrophobicContact CD1-CD2 4.04Å; L802-L853 HydrophobicContact CG-CD2 4.4Å; L802-L853 WeakPolarHBondContact O-CD1 3.28Å; R806-L853 HydrophobicContact CB-CD1 3.78Å; R806-L853 HydrophobicContact CG-CD1 4.42Å; L849-L853 HydrophobicContact CD1-CD1 3.83Å; L849-L853 HydrophobicContact CD1-CG 4.05Å; L849-L853 HydrophobicContact CG-CD1 3.83Å; L849-L853 HydrophobicContact CG-CG 4.46Å; L849-L853 VanDerWaalsContact O-CB 3.27Å; L849-L853 WeakPolarHBondContact O-CB 3.46Å; L849-L853 WeakPolarHBondContact O-CD1 3.4Å; L849-L853 WeakPolarHBondContact O-CG 3.36Å; L849-L853 PolarHBondContact O-N 2.8Å; L849-L853 VanDerWaalsContact O-N 3.11Å; N850-L853 PolarHBondContact O-N 3.09Å; E851-L853 VanDerWaalsContact C-N 3.33Å; E851-L853 PolarHBondContact O-N 3.25Å; L853-V855 VanDerWaalsContact C-N 3.29Å; L853-V855 PolarHBondContact O-N 3.48Å; L853-D856 PolarHBondContact O-N 2.93Å; L853-L857 VanDerWaalsContact O-CB 3.25Å; L853-L857 WeakPolarHBondContact O-CB 3.33Å; L853-L857 WeakPolarHBondContact O-CD1 3.23Å; L853-L857 WeakPolarHBondContact O-CG 3.43Å; L853-L857 PolarHBondContact O-N 3.11Å
854I90.9Very high90.1Very high26 Ų2635.3 Ų35.313%0.13320%0.204CC..Hα-helixtrans-59-46.5174.5-69.5169.3000109.7Q703 F704 N850 E851 Q852 A858Q703-I854 HydrophobicContact CB-CD1 4.5Å; F704-I854 HydrophobicContact CB-CD1 4.29Å; F704-I854 HydrophobicContact CB-CG1 4.23Å; F704-I854 HydrophobicContact CD2-CG1 4.08Å; N850-I854 WeakPolarHBondContact O-CG1 3.45Å; N850-I854 PolarHBondContact O-N 3.03Å; N850-I854 VanDerWaalsContact O-N 3.08Å; E851-I854 PolarHBondContact O-N 3.27Å; Q852-I854 VanDerWaalsContact C-N 3.33Å; Q852-I854 PolarHBondContact O-N 2.88Å; I854-A858 WeakPolarHBondContact O-CB 3.26Å; I854-A858 PolarHBondContact O-N 3.44Å; I854-A858 VanDerWaalsContact O-N 3.09Å
855V87.5Confident90.5Very high88 Ų8838.5 Ų38.553%0.53322%0.216SC..Hα-helixtrans-63.7-47.6176.9178.90000111.7E851 Q852 L853 L857 A858 S859E851-V855 PolarHBondContact O-N 2.51Å; Q852-V855 PolarHBondContact O-N 3.17Å; L853-V855 VanDerWaalsContact C-N 3.29Å; L853-V855 PolarHBondContact O-N 3.48Å; V855-L857 PolarHBondContact O-N 2.85Å; V855-A858 PolarHBondContact O-N 2.88Å; V855-S859 WeakPolarHBondContact O-CB 3.2Å; V855-S859 PolarHBondContact O-N 3.08Å
856D88.2Confident90.9Very high26 Ų2642.8 Ų42.814%0.13924%0.236CC..Hα-helixtrans-63.4-39.3-179.3-78.311.4000111.9R659 L799 Q852 L853 F860R659-D856 IonicContact NH2-OD2 3.55Å; R659-D856 PolarHBondContact NH2-OD2 2.86Å; L799-D856 HydrophobicContact CD2-CB 4.08Å; Q852-D856 PolarHBondContact NE2-OD1 2.75Å; Q852-D856 WeakPolarHBondContact O-CB 3.49Å; Q852-D856 PolarHBondContact O-N 2.81Å; L853-D856 PolarHBondContact O-N 2.93Å; D856-F860 VanDerWaalsContact O-CB 3.27Å; D856-F860 WeakPolarHBondContact O-CB 3.49Å; D856-F860 PolarHBondContact O-N 2.83Å
857L93.2Very high90.9Very high6 Ų643.2 Ų43.23%0.03125%0.245CC..Hα-helixtrans-69-41.2178.5-70170.8000111.5F704 C707 V708 F711 L799 I803 L853 V855 F860 H861F704-L857 HydrophobicContact CE2-CD1 4.03Å; C707-L857 HydrophobicContact CB-CB 4.1Å; C707-L857 HydrophobicContact CB-CD1 3.94Å; V708-L857 HydrophobicContact CG2-CD1 4.13Å; F711-L857 HydrophobicContact CB-CD2 3.93Å; F711-L857 HydrophobicContact CD2-CD2 3.7Å; F711-L857 HydrophobicContact CE2-CD2 4.43Å; F711-L857 HydrophobicContact CG-CD2 3.85Å; L799-L857 HydrophobicContact CB-CD2 4.39Å; L799-L857 HydrophobicContact CD1-CD2 4.35Å; I803-L857 HydrophobicContact CD1-CD2 4.08Å; L853-L857 VanDerWaalsContact O-CB 3.25Å; L853-L857 WeakPolarHBondContact O-CB 3.33Å; L853-L857 WeakPolarHBondContact O-CD1 3.23Å; L853-L857 WeakPolarHBondContact O-CG 3.43Å; L853-L857 PolarHBondContact O-N 3.11Å; V855-L857 PolarHBondContact O-N 2.85Å; L857-F860 PolarHBondContact O-N 3.35Å; L857-H861 PolarHBondContact O-N 2.77Å
858A91.3Very high91.3Very high51 Ų5142 Ų4242%0.42124%0.238SC..Hα-helixtrans-64.7-42.517500000112I854 V855 F860 H861 T862I854-A858 WeakPolarHBondContact O-CB 3.26Å; I854-A858 PolarHBondContact O-N 3.44Å; I854-A858 VanDerWaalsContact O-N 3.09Å; V855-A858 PolarHBondContact O-N 2.88Å; A858-F860 VanDerWaalsContact C-N 3.33Å; A858-H861 PolarHBondContact O-N 2.94Å; A858-T862 PolarHBondContact O-N 2.82Å; A858-T862 PolarHBondContact O-OG1 2.99Å
859S88.8Confident91.8Very high70 Ų7046.6 Ų46.649%0.4926%0.26SS..Hα-helixtrans-61.8-42.4173.8-178.10000111.6V855 H861 T862 M863V855-S859 WeakPolarHBondContact O-CB 3.2Å; V855-S859 PolarHBondContact O-N 3.08Å; S859-H861 PolarHBondContact O-N 3.32Å; S859-T862 PolarHBondContact O-N 3.23Å; S859-M863 PolarHBondContact O-N 2.78Å
860F94.8Very high92.1Very high6 Ų649.7 Ų49.73%0.02629%0.285CS..Hα-helixtrans-61.4-43.9176.7179.1-103.6000112.2F711 D714 I718 A796 L799 D856 L857 A858 T862 M863 V864F711-F860 AromaticContact CD2-CD1 3.73Å; F711-F860 HydrophobicContact CD2-CD1 3.73Å; F711-F860 AromaticContact CD2-CE1 3.73Å; F711-F860 HydrophobicContact CD2-CE1 3.73Å; F711-F860 HydrophobicContact CE2-CD1 4.1Å; F711-F860 AromaticContact CE2-CE1 3.8Å; F711-F860 HydrophobicContact CE2-CE1 3.8Å; F711-F860 HydrophobicContact CE2-CZ 4.46Å; D714-F860 HydrophobicContact CB-CE1 4.36Å; I718-F860 HydrophobicContact CD1-CZ 4.02Å; A796-F860 HydrophobicContact CB-CE1 4.42Å; A796-F860 HydrophobicContact CB-CE2 4.37Å; A796-F860 HydrophobicContact CB-CZ 3.74Å; L799-F860 HydrophobicContact CD1-CB 3.52Å; L799-F860 HydrophobicContact CD1-CD1 3.95Å; L799-F860 HydrophobicContact CD1-CD2 3.62Å; L799-F860 HydrophobicContact CD1-CE2 4.34Å; L799-F860 HydrophobicContact CD1-CG 3.39Å; D856-F860 VanDerWaalsContact O-CB 3.27Å; D856-F860 WeakPolarHBondContact O-CB 3.49Å; D856-F860 PolarHBondContact O-N 2.83Å; L857-F860 PolarHBondContact O-N 3.35Å; A858-F860 VanDerWaalsContact C-N 3.33Å; F860-T862 VanDerWaalsContact C-N 3.29Å; F860-T862 PolarHBondContact O-N 2.82Å; F860-M863 WeakPolarHBondContact O-CB 3.32Å; F860-M863 PolarHBondContact O-N 2.7Å; F860-M863 VanDerWaalsContact O-N 3.1Å; F860-V864 HydrophobicContact CD1-CG2 4.02Å; F860-V864 HydrophobicContact CD2-CG2 4.29Å; F860-V864 HydrophobicContact CE1-CG2 3.53Å; F860-V864 HydrophobicContact CE2-CG2 3.83Å; F860-V864 HydrophobicContact CG-CG2 4.38Å; F860-V864 HydrophobicContact CZ-CG2 3.41Å; F860-V864 VanDerWaalsContact CZ-CG2 3.41Å; F860-V864 WeakPolarHBondContact O-CG2 3.16Å; F860-V864 PolarHBondContact O-N 3.31Å
861H96Very high92.4Very high52 Ų5249.7 Ų49.724%0.24129%0.285CS..Hα-helixtrans-54.2-47.1175.6179.366.7000111.9D714 L857 A858 S859 M863 V864 M865D714-H861 VanDerWaalsContact CG-ND1 3.28Å; D714-H861 IonicContact OD1-CE1 3.9Å; D714-H861 IonicContact OD1-ND1 3.51Å; D714-H861 PolarHBondContact OD1-ND1 3.42Å; D714-H861 VanDerWaalsContact OD1-ND1 3.09Å; D714-H861 WeakPolarHBondContact OD2-CA 3.41Å; D714-H861 WeakPolarHBondContact OD2-CB 3.46Å; D714-H861 IonicContact OD2-CE1 3.1Å; D714-H861 IonicContact OD2-CG 3.33Å; D714-H861 IonicContact OD2-ND1 3.12Å; D714-H861 PolarHBondContact OD2-ND1 2.99Å; L857-H861 PolarHBondContact O-N 2.77Å; A858-H861 PolarHBondContact O-N 2.94Å; S859-H861 PolarHBondContact O-N 3.32Å; H861-M863 VanDerWaalsContact C-N 3.33Å; H861-M863 PolarHBondContact O-N 3.4Å; H861-V864 PolarHBondContact O-N 3.04Å; H861-M865 WeakPolarHBondContact O-CG 3.45Å; H861-M865 PolarHBondContact O-N 3.1Å
862T93.6Very high92.7Very high78 Ų7849 Ų4948%0.47928%0.279SS..Hα-helixtrans-63.2-40.8178.3-55.10000111.6A858 S859 F860 V864 M865 N866A858-T862 PolarHBondContact O-N 2.82Å; A858-T862 PolarHBondContact O-OG1 2.99Å; S859-T862 PolarHBondContact O-N 3.23Å; F860-T862 VanDerWaalsContact C-N 3.29Å; F860-T862 PolarHBondContact O-N 2.82Å; T862-V864 VanDerWaalsContact C-N 3.34Å; T862-V864 PolarHBondContact O-N 2.9Å; T862-M865 PolarHBondContact O-N 3.3Å; T862-N866 PolarHBondContact O-N 3.38Å; T862-N866 VanDerWaalsContact O-N 3.11Å; T862-N866 PolarHBondContact O-ND2 2.73Å
863M92.8Very high93.2Very high93 Ų9349.1 Ų49.146%0.45829%0.288SS..Hα-helixtrans-62.4-39.6175.6-172.1-171.4-61.400112.3L792 S859 F860 H861 G867L792-M863 HydrophobicContact CD2-CG 3.79Å; L792-M863 HydrophobicContact CD2-SD 3.97Å; S859-M863 PolarHBondContact O-N 2.78Å; F860-M863 WeakPolarHBondContact O-CB 3.32Å; F860-M863 PolarHBondContact O-N 2.7Å; F860-M863 VanDerWaalsContact O-N 3.1Å; H861-M863 VanDerWaalsContact C-N 3.33Å; H861-M863 PolarHBondContact O-N 3.4Å; M863-G867 WeakPolarHBondContact O-CA 3.5Å; M863-G867 PolarHBondContact O-N 3.28Å
864V96.7Very high93.5Very high0 Ų050 Ų500%030%0.295CS..Hα-helixtrans-67-48.2177.9172.90000110.9D714 I718 L792 F860 H861 T862 N866 G867 L868D714-V864 HydrophobicContact CB-CB 4.45Å; D714-V864 HydrophobicContact CB-CG1 4.11Å; D714-V864 HydrophobicContact CB-CG2 4.35Å; I718-V864 HydrophobicContact CD1-CG1 4.05Å; I718-V864 HydrophobicContact CD1-CG2 3.77Å; I718-V864 HydrophobicContact CG1-CG1 3.86Å; I718-V864 HydrophobicContact CG1-CG2 4.46Å; L792-V864 HydrophobicContact CD2-CG2 4.29Å; F860-V864 HydrophobicContact CD1-CG2 4.02Å; F860-V864 HydrophobicContact CD2-CG2 4.29Å; F860-V864 HydrophobicContact CE1-CG2 3.53Å; F860-V864 HydrophobicContact CE2-CG2 3.83Å; F860-V864 HydrophobicContact CG-CG2 4.38Å; F860-V864 HydrophobicContact CZ-CG2 3.41Å; F860-V864 VanDerWaalsContact CZ-CG2 3.41Å; F860-V864 WeakPolarHBondContact O-CG2 3.16Å; F860-V864 PolarHBondContact O-N 3.31Å; H861-V864 PolarHBondContact O-N 3.04Å; T862-V864 VanDerWaalsContact C-N 3.34Å; T862-V864 PolarHBondContact O-N 2.9Å; V864-N866 PolarHBondContact O-N 2.91Å; V864-G867 PolarHBondContact O-N 3.49Å; V864-L868 HydrophobicContact CG1-CD1 3.66Å; V864-L868 HydrophobicContact CG1-CG 4.09Å; V864-L868 WeakPolarHBondContact O-CB 3.41Å; V864-L868 WeakPolarHBondContact O-CG 3.12Å; V864-L868 PolarHBondContact O-N 3.07Å
865M94.6Very high93.7Very high91 Ų9149.1 Ų49.145%0.44829%0.291SS..Hα-helixtrans-58.2-49.2179.9-68.7-57.1-61.900111.5H861 T862 E869H861-M865 WeakPolarHBondContact O-CG 3.45Å; H861-M865 PolarHBondContact O-N 3.1Å; T862-M865 PolarHBondContact O-N 3.3Å; M865-E869 WeakPolarHBondContact O-CB 3.25Å; M865-E869 PolarHBondContact O-N 2.94Å
866N93.5Very high94Very high110 Ų11046.8 Ų46.859%0.58828%0.275SS*.Hα-helixtrans-68.6-40.4179-67.1-19.7000112.4T862 V864 A870T862-N866 PolarHBondContact O-N 3.38Å; T862-N866 VanDerWaalsContact O-N 3.11Å; T862-N866 PolarHBondContact O-ND2 2.73Å; V864-N866 PolarHBondContact O-N 2.91Å; N866-A870 WeakPolarHBondContact O-CB 3.28Å; N866-A870 PolarHBondContact O-N 3.48Å; N866-A870 VanDerWaalsContact O-N 3.1Å
867G93.5Very high94.3Very high23 Ų2351.7 Ų51.724%0.23730%0.297CS..Hα-helixtrans-68.2-41.7-177.700000113.1M863 V864 A871M863-G867 WeakPolarHBondContact O-CA 3.5Å; M863-G867 PolarHBondContact O-N 3.28Å; V864-G867 PolarHBondContact O-N 3.49Å; G867-A871 WeakPolarHBondContact O-CB 3.44Å; G867-A871 PolarHBondContact O-N 3.32Å; G867-A871 VanDerWaalsContact O-N 3.07Å
868L96Very high94.3Very high23 Ų2352.2 Ų52.212%0.1230%0.3CS..Hα-helixtrans-70.3-38.2176.8-69.8-178.2000111.9K717 I718 F721 L792 V864 A871 R872K717-L868 HydrophobicContact CB-CD1 4.25Å; I718-L868 HydrophobicContact CG1-CD1 4.18Å; I718-L868 HydrophobicContact CG1-CD2 4.48Å; F721-L868 HydrophobicContact CB-CD2 4.11Å; F721-L868 HydrophobicContact CD1-CD2 3.68Å; F721-L868 HydrophobicContact CE1-CD2 4.29Å; F721-L868 HydrophobicContact CG-CD2 3.93Å; L792-L868 HydrophobicContact CD1-CD2 4.24Å; L792-L868 HydrophobicContact CD1-CG 4.29Å; V864-L868 HydrophobicContact CG1-CD1 3.66Å; V864-L868 HydrophobicContact CG1-CG 4.09Å; V864-L868 WeakPolarHBondContact O-CB 3.41Å; V864-L868 WeakPolarHBondContact O-CG 3.12Å; V864-L868 PolarHBondContact O-N 3.07Å; L868-A871 PolarHBondContact O-N 3.34Å; L868-R872 WeakPolarHBondContact O-CB 3.36Å; L868-R872 PolarHBondContact O-N 3.32Å
869E95.1Very high94.4Very high99 Ų9951 Ų5146%0.46329%0.286SS..Hα-helixtrans-65-43.9177.2-169.656.3-139.800111.6M865 A871 R872 A873M865-E869 WeakPolarHBondContact O-CB 3.25Å; M865-E869 PolarHBondContact O-N 2.94Å; E869-A871 PolarHBondContact O-N 3.02Å; E869-R872 PolarHBondContact O-N 3.44Å; E869-R872 IonicContact OE1-NH1 3.81Å; E869-R872 PolarHBondContact OE1-NH1 3.37Å; E869-A873 WeakPolarHBondContact O-CB 3.49Å; E869-A873 PolarHBondContact O-N 3.24Å
870A94.8Very high94.5Very high64 Ų6452 Ų5253%0.52929%0.286SS..Hα-helixtrans-61.5-43.5175.300000112.1N866 R872 A873 A874N866-A870 WeakPolarHBondContact O-CB 3.28Å; N866-A870 PolarHBondContact O-N 3.48Å; N866-A870 VanDerWaalsContact O-N 3.1Å; A870-R872 VanDerWaalsContact C-N 3.35Å; A870-A873 PolarHBondContact O-N 3.29Å; A870-A874 PolarHBondContact O-N 3Å
871A96.8Very high94.3Very high2 Ų257.7 Ų57.72%0.01731%0.312CS..Hα-helixtrans-65.7-37.8177.300000112.1F721 V785 G867 L868 E869 L875F721-A871 HydrophobicContact CE1-CB 3.82Å; F721-A871 HydrophobicContact CZ-CB 3.9Å; V785-A871 HydrophobicContact CG1-CB 4.18Å; V785-A871 WeakPolarHBondContact CG2-O 3.5Å; G867-A871 WeakPolarHBondContact O-CB 3.44Å; G867-A871 PolarHBondContact O-N 3.32Å; G867-A871 VanDerWaalsContact O-N 3.07Å; L868-A871 PolarHBondContact O-N 3.34Å; E869-A871 PolarHBondContact O-N 3.02Å; A871-L875 WeakPolarHBondContact O-CB 3.09Å; A871-L875 PolarHBondContact O-N 3.38Å
872R94.5Very high94Very high71 Ų7155.6 Ų55.627%0.26830%0.303SS..Hα-helixtrans-63.5-48.7174.9176.1-177.7171.1-88.1-5111.1F721 L868 E869 A870 A874 L875 I876F721-R872 HydrophobicContact CE2-CB 4.03Å; F721-R872 HydrophobicContact CZ-CB 4.4Å; L868-R872 WeakPolarHBondContact O-CB 3.36Å; L868-R872 PolarHBondContact O-N 3.32Å; E869-R872 PolarHBondContact O-N 3.44Å; E869-R872 IonicContact OE1-NH1 3.81Å; E869-R872 PolarHBondContact OE1-NH1 3.37Å; A870-R872 VanDerWaalsContact C-N 3.35Å; R872-A874 VanDerWaalsContact C-N 3.32Å; R872-A874 PolarHBondContact O-N 3.09Å; R872-L875 PolarHBondContact O-N 3.41Å; R872-I876 HydrophobicContact CG-CD1 3.89Å; R872-I876 WeakPolarHBondContact O-CG1 3.23Å; R872-I876 PolarHBondContact O-N 3.21Å
873A95.5Very high93.8Very high51 Ų5154.5 Ų54.542%0.42130%0.296SS..Hα-helixtrans-59.2-43.9178.400000111.7E869 A870 I876 Q877E869-A873 WeakPolarHBondContact O-CB 3.49Å; E869-A873 PolarHBondContact O-N 3.24Å; A870-A873 PolarHBondContact O-N 3.29Å; A873-I876 PolarHBondContact O-N 2.75Å; A873-Q877 WeakPolarHBondContact O-CB 3.33Å; A873-Q877 PolarHBondContact O-N 3.34Å
874A94.8Very high93.6Very high19 Ų1954 Ų5416%0.15730%0.298CS..Hα-helixtrans-62-46.1175.500000112.3H784 V785 A870 R872 I876 Q877 D878H784-A874 HydrophobicContact CB-CB 3.92Å; V785-A874 HydrophobicContact CG2-CB 4.21Å; A870-A874 PolarHBondContact O-N 3Å; R872-A874 VanDerWaalsContact C-N 3.32Å; R872-A874 PolarHBondContact O-N 3.09Å; A874-I876 VanDerWaalsContact C-N 3.33Å; A874-I876 PolarHBondContact O-N 3.29Å; A874-Q877 PolarHBondContact O-N 2.85Å; A874-D878 PolarHBondContact O-N 2.82Å
875L95.5Very high93.1Very high8 Ų856.1 Ų56.14%0.04231%0.306CS..Hα-helixtrans-59-44.5177-177.868.4000111.7V725 V781 V785 A871 R872 M879V725-L875 HydrophobicContact CG2-CD2 4Å; V781-L875 HydrophobicContact CG1-CD1 4.25Å; V781-L875 HydrophobicContact CG2-CD1 4.19Å; V785-L875 HydrophobicContact CG1-CB 4.49Å; V785-L875 HydrophobicContact CG2-CB 4.02Å; A871-L875 WeakPolarHBondContact O-CB 3.09Å; A871-L875 PolarHBondContact O-N 3.38Å; R872-L875 PolarHBondContact O-N 3.41Å; L875-M879 HydrophobicContact CD1-CG 4.1Å; L875-M879 HydrophobicContact CG-CG 4.28Å; L875-M879 VanDerWaalsContact O-CB 3.22Å; L875-M879 WeakPolarHBondContact O-CB 3.37Å; L875-M879 VanDerWaalsContact O-CG 3.22Å; L875-M879 WeakPolarHBondContact O-CG 3.41Å; L875-M879 PolarHBondContact O-N 3.32Å
876I94.9Very high92.7Very high39 Ų3952.5 Ų52.520%0.229%0.288CS..Hα-helixtrans-62.5-45.8179.1-70.3169000110.4R872 A873 A874 M879 N880 L918R872-I876 HydrophobicContact CG-CD1 3.89Å; R872-I876 WeakPolarHBondContact O-CG1 3.23Å; R872-I876 PolarHBondContact O-N 3.21Å; A873-I876 PolarHBondContact O-N 2.75Å; A874-I876 VanDerWaalsContact C-N 3.33Å; A874-I876 PolarHBondContact O-N 3.29Å; I876-M879 PolarHBondContact O-N 3.12Å; I876-N880 WeakPolarHBondContact CG2-ND2 3.33Å; I876-N880 VanDerWaalsContact O-CB 3.31Å; I876-N880 WeakPolarHBondContact O-CB 3.34Å; I876-N880 PolarHBondContact O-N 3.27Å; I876-N880 PolarHBondContact O-ND2 2.83Å; I876-L918 HydrophobicContact CD1-CD1 4.02Å; I876-L918 HydrophobicContact CD1-CD2 3.94Å; I876-L918 HydrophobicContact CG1-CD1 4.35Å; I876-L918 HydrophobicContact CG1-CD2 3.87Å
877Q93.5Very high92.2Very high130 Ų13049.3 Ų49.361%0.60728%0.277SS*.Hα-helixtrans-58.5-51.4178.6179.5-179.6-16.600111.6A873 A874 M879 N880 Q881A873-Q877 WeakPolarHBondContact O-CB 3.33Å; A873-Q877 PolarHBondContact O-N 3.34Å; A874-Q877 PolarHBondContact O-N 2.85Å; Q877-M879 PolarHBondContact O-N 3.14Å; Q877-N880 PolarHBondContact O-N 2.79Å; Q877-Q881 PolarHBondContact O-N 2.69Å
878D92.5Very high91.7Very high16 Ų1653.3 Ų53.39%0.08629%0.29CS..Hα-helixtrans-65.4-41-178.4-73-20.3000111.8L777 N780 V781 A874 Q881 F882L777-D878 HydrophobicContact CD1-CB 3.81Å; N780-D878 VanDerWaalsContact CB-OD2 3.26Å; N780-D878 WeakPolarHBondContact CB-OD2 3.47Å; V781-D878 HydrophobicContact CG2-CB 4.43Å; A874-D878 PolarHBondContact O-N 2.82Å; D878-Q881 PolarHBondContact O-N 2.88Å; D878-F882 WeakPolarHBondContact O-CB 3.48Å; D878-F882 PolarHBondContact O-N 2.96Å
879M93.4Very high90.7Very high25 Ų2553 Ų5312%0.12329%0.288CS..Hα-helixtrans-66.5-37.8177.3-76.6-54.3-48.900112.5T728 A732 L777 L875 I876 Q877 F882 T883T728-M879 HydrophobicContact CG2-CE 4.3Å; T728-M879 HydrophobicContact CG2-CG 4.14Å; T728-M879 HydrophobicContact CG2-SD 4.21Å; A732-M879 HydrophobicContact CB-CE 3.65Å; A732-M879 HydrophobicContact CB-SD 4.32Å; L777-M879 HydrophobicContact CD1-SD 4.45Å; L875-M879 HydrophobicContact CD1-CG 4.1Å; L875-M879 HydrophobicContact CG-CG 4.28Å; L875-M879 VanDerWaalsContact O-CB 3.22Å; L875-M879 WeakPolarHBondContact O-CB 3.37Å; L875-M879 VanDerWaalsContact O-CG 3.22Å; L875-M879 WeakPolarHBondContact O-CG 3.41Å; L875-M879 PolarHBondContact O-N 3.32Å; I876-M879 PolarHBondContact O-N 3.12Å; Q877-M879 PolarHBondContact O-N 3.14Å; M879-F882 HydrophobicContact CE-CD1 4.3Å; M879-F882 PolarHBondContact O-N 3.32Å; M879-T883 WeakPolarHBondContact O-CB 3.47Å; M879-T883 PolarHBondContact O-N 3.48Å; M879-T883 PolarHBondContact O-OG1 3.19Å
880N92.2Very high89.5Confident92 Ų9251.5 Ų51.549%0.49228%0.283SS..Hα-helixtrans-65.2-44.4174.6-75-18.9000110.9I876 Q877 F882 T883 V884I876-N880 WeakPolarHBondContact CG2-ND2 3.33Å; I876-N880 VanDerWaalsContact O-CB 3.31Å; I876-N880 WeakPolarHBondContact O-CB 3.34Å; I876-N880 PolarHBondContact O-N 3.27Å; I876-N880 PolarHBondContact O-ND2 2.83Å; Q877-N880 PolarHBondContact O-N 2.79Å; N880-F882 VanDerWaalsContact C-N 3.34Å; N880-F882 PolarHBondContact O-N 3Å; N880-T883 PolarHBondContact O-N 3.3Å; N880-V884 WeakPolarHBondContact O-CG2 3.48Å; N880-V884 PolarHBondContact O-N 3.45Å
881Q90.2Very high88.4Confident125 Ų12554.7 Ų54.758%0.58429%0.286SS*.Hα-helixtrans-61.3-43.4176.8-174.2176-6.500111.7Q877 D878 T883 V884 W885Q877-Q881 PolarHBondContact O-N 2.69Å; D878-Q881 PolarHBondContact O-N 2.88Å; Q881-T883 VanDerWaalsContact C-N 3.34Å; Q881-T883 PolarHBondContact O-N 3Å; Q881-V884 PolarHBondContact O-N 3.42Å; Q881-W885 WeakPolarHBondContact O-CB 3.47Å; Q881-W885 PolarHBondContact O-N 2.96Å
882F90.4Very high86.8Confident8 Ų856.6 Ų56.64%0.03530%0.3CS..Hα-helixtrans-61.7-42.4174.7179.1-102.6000112.3A732 L736 V773 L777 D878 M879 N880 W885 L886A732-F882 HydrophobicContact CB-CD1 4.31Å; A732-F882 HydrophobicContact CB-CE1 3.93Å; L736-F882 HydrophobicContact CB-CZ 4.18Å; L736-F882 HydrophobicContact CD2-CE2 4.47Å; L736-F882 HydrophobicContact CD2-CZ 4.29Å; V773-F882 HydrophobicContact CG1-CD2 4.05Å; V773-F882 HydrophobicContact CG1-CE2 4.44Å; L777-F882 HydrophobicContact CD2-CB 4.19Å; L777-F882 HydrophobicContact CD2-CD1 4.41Å; L777-F882 HydrophobicContact CD2-CD2 3.79Å; L777-F882 HydrophobicContact CD2-CE2 4.25Å; L777-F882 HydrophobicContact CD2-CG 3.86Å; D878-F882 WeakPolarHBondContact O-CB 3.48Å; D878-F882 PolarHBondContact O-N 2.96Å; M879-F882 HydrophobicContact CE-CD1 4.3Å; M879-F882 PolarHBondContact O-N 3.32Å; N880-F882 VanDerWaalsContact C-N 3.34Å; N880-F882 PolarHBondContact O-N 3Å; F882-W885 HydrophobicContact CD2-CE3 4.41Å; F882-W885 HydrophobicContact CE2-CE3 4.24Å; F882-W885 HydrophobicContact CE2-CZ3 4.26Å; F882-W885 PolarHBondContact O-N 3.37Å; F882-L886 HydrophobicContact CE1-CD2 4.48Å; F882-L886 WeakPolarHBondContact O-CB 3.44Å; F882-L886 PolarHBondContact O-N 3.13Å
883T87.8Confident85.2Confident56 Ų5655.7 Ų55.734%0.34430%0.302SS..Hα-helixtrans-64.9-43.3179.7-57.90000111.5M879 N880 Q881 L886 A887M879-T883 WeakPolarHBondContact O-CB 3.47Å; M879-T883 PolarHBondContact O-N 3.48Å; M879-T883 PolarHBondContact O-OG1 3.19Å; N880-T883 PolarHBondContact O-N 3.3Å; Q881-T883 VanDerWaalsContact C-N 3.34Å; Q881-T883 PolarHBondContact O-N 3Å; T883-L886 PolarHBondContact O-N 3.04Å; T883-A887 WeakPolarHBondContact O-CB 2.93Å; T883-A887 PolarHBondContact O-N 3.44Å
884V88.6Confident83.3Confident81 Ų8156.1 Ų56.149%0.49131%0.311SS..Hα-helixtrans-60.7-49.1174.7170.90000110.6N880 Q881 L886 A887 E888N880-V884 WeakPolarHBondContact O-CG2 3.48Å; N880-V884 PolarHBondContact O-N 3.45Å; Q881-V884 PolarHBondContact O-N 3.42Å; V884-L886 VanDerWaalsContact C-N 3.3Å; V884-L886 PolarHBondContact O-N 3.42Å; V884-A887 PolarHBondContact O-N 2.97Å; V884-A887 VanDerWaalsContact O-N 3.16Å; V884-E888 HydrophobicContact CG1-CG 4.43Å; V884-E888 WeakPolarHBondContact O-CG 3.43Å; V884-E888 PolarHBondContact O-N 2.8Å
885W88Confident81Confident46 Ų4658.6 Ų58.617%0.17433%0.327CS..Hα-helixtrans-57.3-43.8177.9173.781.9000112L736 L767 V773 Q881 F882 E888 Q889L736-W885 HydrophobicContact CD1-CH2 4.32Å; L736-W885 HydrophobicContact CD1-CZ3 4.02Å; L767-W885 HydrophobicContact CD2-CH2 4.17Å; V773-W885 HydrophobicContact CB-CD2 4.38Å; V773-W885 HydrophobicContact CB-CZ2 4.43Å; V773-W885 HydrophobicContact CG1-CD2 3.92Å; V773-W885 HydrophobicContact CG1-CE3 4.01Å; V773-W885 HydrophobicContact CG1-CG 4.25Å; V773-W885 HydrophobicContact CG2-CD2 4.12Å; V773-W885 HydrophobicContact CG2-CG 4.43Å; V773-W885 HydrophobicContact CG2-CZ2 4.02Å; Q881-W885 WeakPolarHBondContact O-CB 3.47Å; Q881-W885 PolarHBondContact O-N 2.96Å; F882-W885 HydrophobicContact CD2-CE3 4.41Å; F882-W885 HydrophobicContact CE2-CE3 4.24Å; F882-W885 HydrophobicContact CE2-CZ3 4.26Å; F882-W885 PolarHBondContact O-N 3.37Å; W885-E888 PolarHBondContact O-N 3.32Å; W885-Q889 HydrophobicContact CD2-CG 4.39Å; W885-Q889 HydrophobicContact CH2-CG 4.24Å; W885-Q889 HydrophobicContact CZ2-CG 3.94Å; W885-Q889 WeakPolarHBondContact O-CG 3.26Å; W885-Q889 PolarHBondContact O-N 3.15Å; W885-Q889 PolarHBondContact O-NE2 3.02Å
886L84.6Confident78.6Confident14 Ų1464.6 Ų64.67%0.07336%0.36CS..Hα-helixtrans-64.4-41.9178.4-174.266.5000111.4T735 L736 F882 T883 V884 Q889 L890T735-L886 HydrophobicContact CG2-CD2 3.97Å; L736-L886 HydrophobicContact CD1-CD1 3.98Å; F882-L886 HydrophobicContact CE1-CD2 4.48Å; F882-L886 WeakPolarHBondContact O-CB 3.44Å; F882-L886 PolarHBondContact O-N 3.13Å; T883-L886 PolarHBondContact O-N 3.04Å; V884-L886 VanDerWaalsContact C-N 3.3Å; V884-L886 PolarHBondContact O-N 3.42Å; L886-Q889 PolarHBondContact O-N 2.64Å; L886-L890 PolarHBondContact O-N 2.91Å
887A83.5Confident75.9Confident43 Ų4368.8 Ų68.836%0.35538%0.382SS..Hα-helixtrans-64.7-40.4177.200000112.5T883 V884 Q889 L890 Q891T883-A887 WeakPolarHBondContact O-CB 2.93Å; T883-A887 PolarHBondContact O-N 3.44Å; V884-A887 PolarHBondContact O-N 2.97Å; V884-A887 VanDerWaalsContact O-N 3.16Å; A887-Q889 VanDerWaalsContact C-N 3.29Å; A887-Q889 PolarHBondContact O-N 3.39Å; A887-L890 PolarHBondContact O-N 2.89Å; A887-L890 VanDerWaalsContact O-N 3.09Å; A887-Q891 PolarHBondContact O-N 3.03Å
888E82.6Confident73.4Confident108 Ų10869.9 Ų69.951%0.50539%0.387SS..Hα-helixtrans-60.1-38.9175.2-74.1175.5174.100111.9V884 W885 L890 Q891 S892V884-E888 HydrophobicContact CG1-CG 4.43Å; V884-E888 WeakPolarHBondContact O-CG 3.43Å; V884-E888 PolarHBondContact O-N 2.8Å; W885-E888 PolarHBondContact O-N 3.32Å; E888-L890 VanDerWaalsContact C-N 3.27Å; E888-L890 PolarHBondContact O-N 3.33Å; E888-Q891 PolarHBondContact O-N 2.69Å; E888-S892 PolarHBondContact O-N 2.81Å
889Q75.3Confident70.5Confident17 Ų1781.3 Ų81.38%0.07943%0.429CS..Hα-helixtrans-62.5-37175.4-58.5-35.4-66.200111.4N766 L767 W885 L886 A887 S892N766-Q889 PolarHBondContact ND2-OE1 3.16Å; L767-Q889 HydrophobicContact CD2-CB 4.29Å; L767-Q889 HydrophobicContact CD2-CG 4.25Å; W885-Q889 HydrophobicContact CD2-CG 4.39Å; W885-Q889 HydrophobicContact CH2-CG 4.24Å; W885-Q889 HydrophobicContact CZ2-CG 3.94Å; W885-Q889 WeakPolarHBondContact O-CG 3.26Å; W885-Q889 PolarHBondContact O-N 3.15Å; W885-Q889 PolarHBondContact O-NE2 3.02Å; L886-Q889 PolarHBondContact O-N 2.64Å; A887-Q889 VanDerWaalsContact C-N 3.29Å; A887-Q889 PolarHBondContact O-N 3.39Å; Q889-S892 PolarHBondContact O-OG 2.93Å
890L70.2Confident67.8Low67 Ų6783.5 Ų83.535%0.35145%0.447SS..Hα-helixtrans-75.1-39.1-179.7-64.7173.8000113.4L886 A887 E888 S892 V893 G894L886-L890 PolarHBondContact O-N 2.91Å; A887-L890 PolarHBondContact O-N 2.89Å; A887-L890 VanDerWaalsContact O-N 3.09Å; E888-L890 VanDerWaalsContact C-N 3.27Å; E888-L890 PolarHBondContact O-N 3.33Å; L890-S892 PolarHBondContact O-N 2.73Å; L890-V893 WeakPolarHBondContact O-CB 3.4Å; L890-V893 PolarHBondContact O-N 2.93Å; L890-G894 PolarHBondContact O-N 3.46Å
891Q71.6Confident65.1Low130 Ų13087.6 Ų87.661%0.60747%0.469SS*.Hα-helixtrans-60.3-32.1176.9-73.6-176.72.400112.2A887 E888 V893 G894 S895A887-Q891 PolarHBondContact O-N 3.03Å; E888-Q891 PolarHBondContact O-N 2.69Å; Q891-V893 PolarHBondContact O-N 2.86Å; Q891-G894 PolarHBondContact O-N 2.91Å; Q891-S895 PolarHBondContact O-OG 2.71Å
892S64.3Low62.7Low43 Ų4388.9 Ų88.930%0.30148%0.48SS..Hα-helixtrans-69.9-16.9177.1720000114.3V763 E888 Q889 L890V763-S892 WeakPolarHBondContact CG2-OG 3.34Å; E888-S892 PolarHBondContact O-N 2.81Å; Q889-S892 PolarHBondContact O-OG 2.93Å; L890-S892 PolarHBondContact O-N 2.73Å
893V60.2Low60Low52 Ų5292.4 Ų92.432%0.31552%0.518SS..Hα-helixtrans-80.4-42171-174.20000111.7V763 L890 Q891V763-V893 HydrophobicContact CB-CG2 4.02Å; V763-V893 HydrophobicContact CG1-CG2 3.72Å; V763-V893 HydrophobicContact CG2-CG2 3.67Å; L890-V893 WeakPolarHBondContact O-CB 3.4Å; L890-V893 PolarHBondContact O-N 2.93Å; Q891-V893 PolarHBondContact O-N 2.86Å
894G55.9Low57.2Low60 Ų6095.2 Ų95.262%0.61954%0.539SS*.Hα-helixtrans-84.5-7.6-166.500000116.7L890 Q891 N896L890-G894 PolarHBondContact O-N 3.46Å; Q891-G894 PolarHBondContact O-N 2.91Å; G894-N896 PolarHBondContact O-N 2.89Å
895S46.5Very low54.4Low70 Ų7098.1 Ų98.149%0.4955%0.551SS.*  trans-75.795.5177.9-600000109.8R759 Q891R759-S895 PolarHBondContact NH1-O 3.29Å; Q891-S895 PolarHBondContact O-OG 2.71Å
896N44.5Very low51.6Low135 Ų135101.5 Ų101.572%0.72258%0.578SS**  trans-65.8133.7175-96.4-18.2000111.5G894 Q898G894-N896 PolarHBondContact O-N 2.89Å; N896-Q898 PolarHBondContact O-N 2.84Å
897D38.3Very low48.9Very low127 Ų127109.3 Ų109.368%0.67961%0.611SS**  trans-72.444.5168.1-92.5-12.9000112.6R759 R899R759-D897 IonicContact CZ-OD1 2.71Å; R759-D897 VanDerWaalsContact CZ-OD1 3.25Å; R759-D897 IonicContact CZ-OD2 2.74Å; R759-D897 VanDerWaalsContact NH1-CG 3.3Å; R759-D897 IonicContact NH1-OD1 3.31Å; R759-D897 PolarHBondContact NH1-OD1 2.86Å; R759-D897 IonicContact NH1-OD2 3.92Å; R759-D897 IonicContact NH2-OD1 3.35Å; R759-D897 PolarHBondContact NH2-OD1 3.14Å; R759-D897 IonicContact NH2-OD2 2.88Å; D897-R899 PolarHBondContact O-N 3.48Å
898Q40.2Very low46.2Very low152 Ų152111.7 Ų111.771%0.7162%0.624SS**  trans-84.876.2165.1-80.4-179.8-4.700109.1N896 S900N896-Q898 PolarHBondContact O-N 2.84Å; Q898-S900 PolarHBondContact O-N 2.94Å
899R32.1Very low43.6Very low256 Ų256113.6 Ų113.697%0.96664%0.636SS**  trans-71.167150.4-155.6177.2-163.9-177.14.1107.5D897D897-R899 PolarHBondContact O-N 3.48Å
900S37.2Very low41.4Very low72 Ų72120.6 Ų120.650%0.50367%0.668SS.*SBendtrans-133.375.5168570000107Q898 D902Q898-S900 PolarHBondContact O-N 2.94Å; S900-D902 PolarHBondContact O-N 3.42Å
901D35.3Very low39.3Very low178 Ų178124.3 Ų124.395%0.95269%0.689SS**SBendtrans39.115.9141.8-111.66000122.4
902D39Very low37.2Very low152 Ų152126 Ų12681%0.81369%0.694SS**  trans-122.8119.8172.5-116-16.1000110.5S900 C904S900-D902 PolarHBondContact O-N 3.42Å; D902-C904 PolarHBondContact O-N 3.2Å
903G33.9Very low35.3Very low81 Ų81129.3 Ų129.384%0.83572%0.717SS**  trans-68.345.4-165.800000116.5I905G903-I905 PolarHBondContact O-N 2.84Å
904C30.4Very low34.1Very low116 Ų116133.8 Ų133.878%0.78473%0.73SS**  trans-88.492.3171.5-159.60000109.6D902D902-C904 PolarHBondContact O-N 3.2Å
905I29Very low32.7Very low142 Ų142139.4 Ų139.473%0.72874%0.74SS**  trans-48.4123.2167.5-61.1168.6000107.9G903 K907G903-I905 PolarHBondContact O-N 2.84Å; I905-K907 PolarHBondContact O-N 2.68Å
906P28.9Very low32Very low116 Ų116139.7 Ų139.775%0.75374%0.742SS**  trans-63.1111.8175.6-12.725.6000107.6
907K27.2Very low31.3Very low178 Ų178137.8 Ų137.877%0.77474%0.737SS**  trans-62.6129.5170.5-68.1-178.4178.2-177.40107.4I905 I909I905-K907 PolarHBondContact O-N 2.68Å; K907-I909 PolarHBondContact O-N 2.89Å
908P27.9Very low30.9Very low94 Ų94135 Ų13561%0.6172%0.721SS**  trans-51.6139.2166.3-16.728.5000107.6E910P908-E910 VanDerWaalsContact C-N 3.3Å; P908-E910 PolarHBondContact O-N 3.39Å
909I28.5Very low30.6Very low147 Ų147132.8 Ų132.875%0.75471%0.713SS**  trans-60.994.6179.1-61.8166.8000107.7K907 N911K907-I909 PolarHBondContact O-N 2.89Å; I909-N911 PolarHBondContact O-N 3.18Å
910E27.9Very low30.4Very low164 Ų164125.6 Ų125.677%0.76670%0.703SS**THydrogen-bonded Turntrans-74.45.1-178.4-84-179.5161.500113.3P908P908-E910 VanDerWaalsContact C-N 3.3Å; P908-E910 PolarHBondContact O-N 3.39Å
911N26.5Very low30.4Very low146 Ų146127.8 Ų127.878%0.78170%0.703SS**THydrogen-bonded Turntrans-96.811-169.3-93.37.8000116.4I909I909-N911 PolarHBondContact O-N 3.18Å
912F27.5Very low30.3Very low164 Ų164127.2 Ų127.272%0.71970%0.695SS**  trans-101.283.4162.6-76.7-77.8000109.1Y914F912-Y914 HydrophobicContact CB-CD2 4.03Å; F912-Y914 HydrophobicContact CB-CE2 4.32Å; F912-Y914 PolarHBondContact O-N 3.36Å
913S24.9Very low30Very low113 Ų113128.9 Ų128.979%0.7970%0.698SS**  trans-60.684158.9-59.50000108.2E915S913-E915 PolarHBondContact O-N 3.26Å
914Y35.3Very low30Very low147 Ų147130.4 Ų130.458%0.57669%0.691SS**  trans-73.189165.3-99.2-87.3000106.8F912 S916F912-Y914 HydrophobicContact CB-CD2 4.03Å; F912-Y914 HydrophobicContact CB-CE2 4.32Å; F912-Y914 PolarHBondContact O-N 3.36Å; Y914-S916 PolarHBondContact O-N 3.37Å
915E25.8Very low29.9Very low177 Ų177130.1 Ų130.183%0.82769%0.686SS**  trans-55.9112.4147.1-75.7-166.1170.500105.4S913 P917S913-E915 PolarHBondContact O-N 3.26Å; E915-P917 VanDerWaalsContact O-CD 3.29Å; E915-P917 WeakPolarHBondContact O-CD 3.43Å; E915-P917 VanDerWaalsContact O-N 3.12Å
916S32Very low29.8Very low76 Ų76128 Ų12853%0.53168%0.681SS.*  trans-54.6122.2170.4-65.80000106.4Y914 L918Y914-S916 PolarHBondContact O-N 3.37Å; S916-L918 PolarHBondContact O-N 2.98Å
917P30.3Very low29.7Very low95 Ų95133.4 Ų133.462%0.61769%0.686SS**  trans-70.822.2178.229-33000112.2E915 I919E915-P917 VanDerWaalsContact O-CD 3.29Å; E915-P917 WeakPolarHBondContact O-CD 3.43Å; E915-P917 VanDerWaalsContact O-N 3.12Å; P917-I919 PolarHBondContact O-N 3.48Å
918L29.4Very low29.9Very low68 Ų68133.6 Ų133.636%0.35669%0.687SS.*  trans-65.3101.2169.8-64.9174.2000106.2I876 S916 S920I876-L918 HydrophobicContact CD1-CD1 4.02Å; I876-L918 HydrophobicContact CD1-CD2 3.94Å; I876-L918 HydrophobicContact CG1-CD1 4.35Å; I876-L918 HydrophobicContact CG1-CD2 3.87Å; S916-L918 PolarHBondContact O-N 2.98Å; L918-S920 PolarHBondContact O-N 3.43Å
919I32.9Very low30Very low106 Ų106133.7 Ų133.754%0.54468%0.682SS.*  trans-38.7116.7157.2-71.1168.6000105.9P917 F921P917-I919 PolarHBondContact O-N 3.48Å; I919-F921 WeakPolarHBondContact O-CD2 3.41Å; I919-F921 PolarHBondContact O-N 2.64Å
920S28.8Very low29.9Very low106 Ų106135.4 Ų135.474%0.74169%0.687SS**  trans-57.195.4164530000105L918 E922L918-S920 PolarHBondContact O-N 3.43Å; S920-E922 PolarHBondContact O-N 3.16Å
921F38.1Very low30Very low118 Ų118133.5 Ų133.552%0.51868%0.681SS.*  trans-61.6103.2157.1-72.9-83.8000102.8I919 E923I919-F921 WeakPolarHBondContact O-CD2 3.41Å; I919-F921 PolarHBondContact O-N 2.64Å; F921-E923 PolarHBondContact O-N 3.37Å
922E32.5Very low29.8Very low165 Ų165132.1 Ų132.177%0.77168%0.683SS**  trans-41.5121165.3-160.9168.7-161.100105.2S920 V924S920-E922 PolarHBondContact O-N 3.16Å; E922-V924 PolarHBondContact O-N 2.85Å
923E32.1Very low29.8Very low188 Ų188129 Ų12988%0.87968%0.681SS**  trans-60.186172.1-86-176.9153.800105.7F921 T925F921-E923 PolarHBondContact O-N 3.37Å; E923-T925 PolarHBondContact O-N 2.97Å
924V34.6Very low29.7Very low113 Ų113129.2 Ų129.269%0.68568%0.683SS**  trans-71.291.8169.5-176.90000102.9E922 P926E922-V924 PolarHBondContact O-N 2.85Å; V924-P926 VanDerWaalsContact O-N 3.14Å
925T27.1Very low29.4Very low110 Ų110129.6 Ų129.668%0.67569%0.694SS**  trans-34123.116228.80000106.9E923 R927E923-T925 PolarHBondContact O-N 2.97Å; T925-R927 VanDerWaalsContact C-N 3.35Å; T925-R927 PolarHBondContact O-N 3.33Å
926P28.2Very low29.2Very low98 Ų98126.9 Ų126.964%0.63670%0.695SS**  trans-55.6107.6-179.321.1-30.6000106V924 F928V924-P926 VanDerWaalsContact O-N 3.14Å; P926-F928 HydrophobicContact CB-CD2 4.11Å; P926-F928 HydrophobicContact CB-CE2 4.13Å; P926-F928 HydrophobicContact CG-CD2 4.14Å; P926-F928 HydrophobicContact CG-CE2 3.9Å; P926-F928 PolarHBondContact O-N 2.98Å
927R26.7Very low28.9Very low229 Ų229129 Ų12986%0.86471%0.709SS**  trans-65.287.3160.4-80-173.7177.5161.90.7103.4T925 I929T925-R927 VanDerWaalsContact C-N 3.35Å; T925-R927 PolarHBondContact O-N 3.33Å; R927-I929 PolarHBondContact O-N 3.27Å
928F31.1Very low28.4Very low181 Ų181130 Ų13079%0.79472%0.719SS**  trans-52.1104.3161.4-87.9-88.9000104.3P926 Q930P926-F928 HydrophobicContact CB-CD2 4.11Å; P926-F928 HydrophobicContact CB-CE2 4.13Å; P926-F928 HydrophobicContact CG-CD2 4.14Å; P926-F928 HydrophobicContact CG-CE2 3.9Å; P926-F928 PolarHBondContact O-N 2.98Å; F928-Q930 PolarHBondContact O-N 3.35Å
929I30.3Very low28.2Very low96 Ų96132.6 Ų132.649%0.49274%0.743SS.*  trans-64.698.3164.4-61.1178.8000102.7L710 R927 L931L710-I929 HydrophobicContact CD1-CD1 3.87Å; R927-I929 PolarHBondContact O-N 3.27Å; I929-L931 HydrophobicContact CG2-CD1 4.41Å; I929-L931 HydrophobicContact CG2-CG 3.99Å; I929-L931 PolarHBondContact O-N 3.34Å
930Q25.7Very low27.6Very low184 Ų184133.8 Ų133.886%0.8676%0.755SS**  trans-69.175.2169.8-162.5175.9-10.300105.5F928 S932F928-Q930 PolarHBondContact O-N 3.35Å; Q930-S932 VanDerWaalsContact C-N 3.35Å; Q930-S932 PolarHBondContact O-N 2.87Å
931L30.2Very low27.5Very low124 Ų124138.3 Ų138.365%0.64976%0.761SS**  trans-58.7108.6159.8-85.3153.9000104.2I929 S933I929-L931 HydrophobicContact CG2-CD1 4.41Å; I929-L931 HydrophobicContact CG2-CG 3.99Å; I929-L931 PolarHBondContact O-N 3.34Å; L931-S933 VanDerWaalsContact C-N 3.32Å; L931-S933 PolarHBondContact O-N 3.45Å
932S23.1Very low26.8Very low117 Ų117139.1 Ų139.182%0.81877%0.771SS**  trans-52.790.9-177.447.80000110.9Q930Q930-S932 VanDerWaalsContact C-N 3.35Å; Q930-S932 PolarHBondContact O-N 2.87Å
933S27.2Very low26.3Very low97 Ų97136.5 Ų136.568%0.67877%0.771SS**  trans-105.397.7149.853.30000106.5L931 L935L931-S933 VanDerWaalsContact C-N 3.32Å; L931-S933 PolarHBondContact O-N 3.45Å; S933-L935 VanDerWaalsContact C-N 3.3Å; S933-L935 PolarHBondContact O-N 2.92Å
934S22.4Very low26Very low119 Ų119133.1 Ų133.183%0.83277%0.768SS**  trans-5890.9166.745.30000109.8
935L29.4Very low25.4Very low155 Ų155133.3 Ų133.381%0.81277%0.774SS**  trans-13395.2164.9-83.5162.8000108.3S933 S937S933-L935 VanDerWaalsContact C-N 3.3Å; S933-L935 PolarHBondContact O-N 2.92Å; L935-S937 PolarHBondContact O-N 3.04Å
936S21Very low25.4Very low120 Ų120134.7 Ų134.784%0.83978%0.782SS**  trans-49.4123.3166.1360000112.6
937S25.8Very low25.1Very low120 Ų120133.6 Ų133.684%0.83979%0.789SS**  trans-151.2119.1136.571.80000110L935L935-S937 PolarHBondContact O-N 3.04Å
938S19.4Very low25Very low117 Ų117128 Ų12882%0.81879%0.785SS**  trans-76129.6174.546.90000111.1
939S25.5Very low24.6Very low122 Ų122123.8 Ų123.885%0.85378%0.784SS**  trans-149.7129.3143.973.70000110.9
940V20.9Very low24.3Very low131 Ų131128.2 Ų128.279%0.79480%0.8SS**  trans-94.3124.7-178.5170.10000106.9
941F26.7Very low24.3Very low200 Ų200124.8 Ų124.888%0.87779%0.792SS**  trans-154.1120.3151.2-102.3-72.8000112.9
942D22.8Very low24Very low135 Ų135127.1 Ų127.172%0.72281%0.805SS**  trans49.2109.7150.1-98.1-27.4000123.8
943S22.6Very low24.1Very low110 Ų110125.4 Ų125.477%0.76981%0.805SS**  trans-55.2128.5147.336.30000114
944S25.1Very low23.9Very low118 Ų118130.5 Ų130.583%0.82582%0.815SS**  trans-133.8115.8146.659.50000110.2
945S22.6Very low23.9Very low116 Ų116132.8 Ų132.881%0.81181%0.813SS**  trans-75.8129174.7530000110.6
946V27.5Very low23.6Very low139 Ų139133.3 Ų133.384%0.84282%0.816SS**  trans-128.5104.1155.1-174.20000107.3
947G20.9Very low23.8Very low76 Ų76133.7 Ų133.778%0.78481%0.813SS**  trans-76.4140.1168.600000110.4
948S25.3Very low23.7Very low110 Ų110136.1 Ų136.177%0.76982%0.816SS**  trans-141.2109.9154.5-172.30000108
949A21.6Very low23.9Very low93 Ų93139 Ų13977%0.76982%0.816SS**  trans-84126.5173.500000109
950F25.5Very low23.7Very low189 Ų189140.4 Ų140.483%0.82982%0.815SS**  trans-134.393.3159.7-113.3-87.9000110.2
951T25.9Very low23.8Very low113 Ų113144 Ų14469%0.69382%0.819SS**  trans23.6115.2138.2620000120.7
952N22Very low23.7Very low173 Ų173140.7 Ų140.793%0.92582%0.816SS**  trans24.5108.6130.1-76.3-4.7000119.4
953G26Very low23.9Very low80 Ų80142 Ų14283%0.82582%0.822SS**  trans-126.2132.1156.300000110
954K24Very low23.9Very low204 Ų204140.4 Ų140.489%0.88782%0.823SS**  trans-69.1144-163-77.1163.7167.8173.20116.3
955E21.1Very low23.9Very low167 Ų167144.2 Ų144.278%0.7883%0.825SS**  trans-8.9133.2142.5-64.6173.3147.400118
956N23.7Very low24Very low166 Ų166144.3 Ų144.389%0.88883%0.826SS**  trans-150.799.2135.8-118.7-8000109.3
957V24.7Very low23.9Very low128 Ų128147 Ų14778%0.77683%0.828SS**PPolyproline II helixtrans-87.3119.7177.1173.60000107.9
958L24.2Very low24.1Very low171 Ų171148.4 Ų148.490%0.89583%0.826SS**PPolyproline II helixtrans-94.9127.9171.2-96.7143.7000109.6
959E23.4Very low24Very low177 Ų177147.7 Ų147.783%0.82783%0.828SS**PPolyproline II helixtrans-65.5139.1-163.8-69.5173.7131.600115.9
960N20.9Very low24.3Very low153 Ų153150 Ų15082%0.81883%0.831SS**PPolyproline II helixtrans-69.9133.2162-77.7-33.5000111.6
961K23.7Very low24.3Very low205 Ų205149 Ų14989%0.89183%0.83SS**  trans-119.592.4160-87.9-179.8176.6171.70109.2
962T24.8Very low24.2Very low132 Ų132152.5 Ų152.581%0.8184%0.838SS**  trans-111.8110.7170.2-48.50000108G964T962-G964 PolarHBondContact O-N 3.03Å
963L25.5Very low24.3Very low162 Ų162153 Ų15385%0.84884%0.837SS**  trans-71.6118.4178.6-85.7149.8000110
964G23.5Very low24.6Very low77 Ų77156.2 Ų156.279%0.79484%0.841SS**  trans-72.8129.9173.700000111.9T962T962-G964 PolarHBondContact O-N 3.03Å
965F26Very low24.7Very low198 Ų198152.3 Ų152.387%0.86884%0.839SS**  trans-106.1127.9159.9-93.6-86.4000108.8
966S23.8Very low24.8Very low117 Ų117147.9 Ų147.982%0.81884%0.839SS**  trans-68.7126.6-170.830.10000113.1S968S966-S968 PolarHBondContact O-N 3.42Å
967H24.7Very low25.1Very low195 Ų195151.5 Ų151.590%0.90384%0.84SS**  trans-71.9115.5160.9-93.8-92.3000109.5
968S25.4Very low25.1Very low106 Ų106153.3 Ų153.374%0.74185%0.845SS**  trans-88.4117.116360.60000109.2S966S966-S968 PolarHBondContact O-N 3.42Å
969A23.9Very low25.4Very low96 Ų96151.1 Ų151.179%0.79384%0.838SS**  trans-60.9135.3170.900000111
970V27.1Very low25.4Very low140 Ų140146 Ų14685%0.84883%0.833SS**  trans-117.8121.2162.1177.50000106.6
971E26.6Very low25.8Very low170 Ų170147.2 Ų147.279%0.79483%0.833SS**  trans-70.9130-173.7-66.6168.2149.700112.4
972E22.9Very low25.8Very low185 Ų185146.5 Ų146.586%0.86483%0.833SS**  39.2102.2118.6-151.7173.2-146.400118.8
973M24.4Very low25.7Very low184 Ų184149.1 Ų149.191%0.90684%0.837SS**  trans-156.391.9149.1-75-163.2-154.300110.6
974T32.3Very low25.7Very low147 Ų147147.1 Ų147.190%0.90283%0.833SS**  trans-151111.9145.647.10000110.2
975S26.5Very low25.7Very low122 Ų122153 Ų15385%0.85384%0.837SS**  trans-77149.8177.453.30000112.1
976G23.4Very low25.7Very low75 Ų75152 Ų15277%0.77384%0.837SS**  trans-57160.6-171.400000118.7
977R28.6Very low25.8Very low242 Ų242152.5 Ų152.591%0.91384%0.835SS**  trans-153106.5139.6-116.6176.2-175178.11.6109.6
978D24.7Very low25.8Very low165 Ų165147 Ų14788%0.88282%0.824SS**  trans-59.5125.1163.9-86.2-46.5000110.7
979V30.9Very low25.9Very low125 Ų125148.1 Ų148.176%0.75883%0.826SS**  trans-137105.1149.8-179.30000106.9H981V979-H981 PolarHBondContact O-N 3.48Å
980G23.5Very low25.8Very low69 Ų69152 Ų15271%0.71183%0.833SS**  trans-67.6124.8174.100000111.3
981H29.3Very low25.9Very low179 Ų179150.7 Ų150.783%0.82983%0.83SS**  trans-117.3124.8152.3-89.9-52000109V979V979-H981 PolarHBondContact O-N 3.48Å
982Q24.3Very low25.6Very low190 Ų190147 Ų14789%0.88884%0.837SS**PPolyproline II helixtrans-63126.5-170.9-65.8164.4-4.100110.8
983Q22.6Very low25.7Very low188 Ų188141 Ų14188%0.87982%0.824SS**PPolyproline II helixtrans-67.9128.6166.4-80.2176-38.400110K985Q983-K985 PolarHBondContact O-N 3.06Å
984P25Very low26Very low120 Ų120138.5 Ų138.578%0.77982%0.82SS**PPolyproline II helixtrans-70.4128.2164.4-8.224.4000109M986P984-M986 PolarHBondContact O-N 2.74Å
985K25Very low26.1Very low201 Ų201140.1 Ų140.187%0.87482%0.817SS**PPolyproline II helixtrans-58.9118.1175.1-79.6173.8171.8176.40110.6Q983 T987Q983-K985 PolarHBondContact O-N 3.06Å; K985-T987 PolarHBondContact O-N 3.04Å
986M25.2Very low26.4Very low177 Ų177140.6 Ų140.687%0.87281%0.81SS**  trans-65.7104.6161.5-81.216674.900109.3P984P984-M986 PolarHBondContact O-N 2.74Å
987T24.9Very low27.2Very low126 Ų126144.9 Ų144.977%0.77382%0.815SS**  trans-10078.1154.945.30000107.3K985 T989K985-T987 PolarHBondContact O-N 3.04Å; T987-T989 PolarHBondContact O-N 2.88Å
988A26.1Very low28Very low80 Ų80138.5 Ų138.566%0.66180%0.803SS**  trans-84.596.9169.100000107.6L990A988-L990 PolarHBondContact O-N 3.48Å
989T25.9Very low29.6Very low130 Ų130133.7 Ų133.780%0.79878%0.777SS**  trans-69.6115.6169.2-360000107.3T987 S991T987-T989 PolarHBondContact O-N 2.88Å; T989-S991 PolarHBondContact O-N 2.95Å
990L22.5Very low31.8Very low177 Ų177131.7 Ų131.793%0.92776%0.76SS**  trans-6398.3177-70.8153.6000110.2A988A988-L990 PolarHBondContact O-N 3.48Å
991S28.4Very low34.6Very low113 Ų113132.7 Ų132.779%0.7975%0.745SS**  trans-115.292.5158.456.60000107.7T989 G993T989-S991 PolarHBondContact O-N 2.95Å; S991-G993 PolarHBondContact O-N 3.45Å
992G21.9Very low37.5Very low91 Ų91124.2 Ų124.294%0.93871%0.705SS**  trans-68.294.7169.600000109.3
993G25.3Very low40.6Very low59 Ų59116.7 Ų116.761%0.60867%0.672SS**  trans-99.6128.6158.500000107.1S991 E995S991-G993 PolarHBondContact O-N 3.45Å; G993-E995 PolarHBondContact O-N 3.44Å
994V29Very low43.9Very low133 Ų133107.7 Ų107.781%0.80663%0.63SS**  trans-58.3107.5163.9178.30000105.2D996V994-D996 PolarHBondContact O-N 2.8Å
995E34.4Very low46.8Very low180 Ų180102.2 Ų102.284%0.84160%0.595SS**  trans-66.593.2169.6-80.7178.2160.500105.7G993 D997G993-E995 PolarHBondContact O-N 3.44Å; E995-D997 PolarHBondContact O-N 3.37Å; E995-D997 VanDerWaalsContact O-N 3.14Å
996D33.8Very low49.9Very low132 Ų13298.8 Ų98.871%0.70658%0.578SS**  trans-54.1112.1158.5-92.6-28.9000105.9V994 V998V994-D996 PolarHBondContact O-N 2.8Å; D996-V998 HydrophobicContact CB-CG2 3.86Å; D996-V998 PolarHBondContact O-N 2.88Å
997D41Very low53Low165 Ų16595.1 Ų95.188%0.88256%0.562SS**  trans-64.257.5168.6-83.3-36.3000109.5E995 D999E995-D997 PolarHBondContact O-N 3.37Å; E995-D997 VanDerWaalsContact O-N 3.14Å; D997-D999 PolarHBondContact O-N 3.36Å
998V45Very low56.1Low108 Ų10890.2 Ų90.266%0.65553%0.53SS*.  trans-88100.8173.1175.10000105.9D996 E1000D996-V998 HydrophobicContact CB-CG2 3.86Å; D996-V998 PolarHBondContact O-N 2.88Å; V998-E1000 PolarHBondContact O-N 2.78Å
999D57.2Low59.2Low65 Ų6594.2 Ų94.235%0.34854%0.535SS..  trans-25.7101.7156.8-77.9-16.1000111.1D997 V1025 H1027D997-D999 PolarHBondContact O-N 3.36Å; D999-V1025 HydrophobicContact CB-CG1 3.5Å; D999-H1027 IonicContact OD1-CE1 3.73Å; D999-H1027 IonicContact OD1-ND1 3.55Å; D999-H1027 IonicContact OD2-CE1 3.79Å
1000E76.8Confident62.1Low83 Ų8389.5 Ų89.539%0.38851%0.508SS..EExtended strand (participates in β ladder)trans-89.1126.6-173.6-166177.4174.300109.6V998 V1026 R1029V998-E1000 PolarHBondContact O-N 2.78Å; E1000-V1026 PolarHBondContact O-N 2.66Å; E1000-R1029 IonicContact OE2-CZ 3.81Å; E1000-R1029 IonicContact OE2-NH2 2.62Å; E1000-R1029 PolarHBondContact OE2-NH2 2.71Å
1001F83.7Confident65Low90 Ų9086.5 Ų86.540%0.39550%0.502SS..EExtended strand (participates in β ladder)trans-73.8127.9176-67.2-86.4000110.3L1023 V1025 Y1059F1001-L1023 HydrophobicContact CB-CD1 4.24Å; F1001-L1023 HydrophobicContact CD1-CD1 4.41Å; F1001-L1023 HydrophobicContact CD1-CD2 3.94Å; F1001-L1023 HydrophobicContact CD1-CG 4.17Å; F1001-L1023 HydrophobicContact CE1-CD2 4.42Å; F1001-V1025 HydrophobicContact CD1-CG2 3.74Å; F1001-V1025 HydrophobicContact CE1-CG2 3.54Å; F1001-V1025 HydrophobicContact CZ-CG2 4.3Å; F1001-Y1059 HydrophobicContact CB-CD1 4.3Å; F1001-Y1059 HydrophobicContact CB-CG 4.39Å; F1001-Y1059 VanDerWaalsContact O-CB 3.22Å; F1001-Y1059 WeakPolarHBondContact O-CB 3.42Å; F1001-Y1059 PolarHBondContact O-N 3.23Å
1002C90.6Very high67.4Low1 Ų182.3 Ų82.31%0.00748%0.477CS..EExtended strand (participates in β ladder)trans-123.4151.2173.3-72.10000110.2V1024 V1026 L1056 K1057C1002-V1024 HydrophobicContact CB-CG2 4.14Å; C1002-V1024 PolarHBondContact N-O 3.18Å; C1002-V1024 PolarHBondContact O-N 2.72Å; C1002-V1024 VanDerWaalsContact O-O 3.09Å; C1002-V1026 HydrophobicContact CB-CG2 3.99Å; C1002-V1026 VanDerWaalsContact SG-CG2 3.55Å; C1002-L1056 HydrophobicContact CB-CB 4.18Å; C1002-K1057 CarbonylContact C-O 3.56Å; C1002-K1057 WeakPolarHBondContact CA-O 3.23Å; C1002-K1057 WeakPolarHBondContact CB-O 3.42Å
1003V89.1Confident70Confident31 Ų3180.7 Ų80.719%0.18845%0.45CS..EExtended strand (participates in β ladder)trans-101.9137.4169.8-176.30000108.6A1005 D1022 L1023 K1057 Y1059V1003-A1005 PolarHBondContact O-N 2.93Å; V1003-D1022 WeakPolarHBondContact CA-O 3.44Å; V1003-L1023 HydrophobicContact CG2-CD1 4.22Å; V1003-K1057 PolarHBondContact N-O 3.49Å; V1003-K1057 PolarHBondContact O-N 3.1Å; V1003-Y1059 HydrophobicContact CG2-CD2 3.46Å; V1003-Y1059 VanDerWaalsContact CG2-CD2 3.46Å; V1003-Y1059 HydrophobicContact CG2-CE2 4.37Å; V1003-Y1059 HydrophobicContact CG2-CG 4.25Å
1004V90.8Very high72.9Confident0 Ų082.6 Ų82.60%045%0.446CS..EExtended strand (participates in β ladder)trans-73.3120.2175.3177.30000109Y1006 V1018 L1019 D1021 D1022 V1024 Y1055 L1056V1004-Y1006 WeakPolarHBondContact CG1-O 3.4Å; V1004-V1018 HydrophobicContact CB-CG2 4.4Å; V1004-V1018 HydrophobicContact CG1-CB 4.15Å; V1004-V1018 HydrophobicContact CG1-CG2 3.65Å; V1004-V1018 HydrophobicContact CG2-CB 3.87Å; V1004-V1018 HydrophobicContact CG2-CG1 4.37Å; V1004-V1018 HydrophobicContact CG2-CG2 3.83Å; V1004-L1019 VanDerWaalsContact CB-O 3.25Å; V1004-L1019 WeakPolarHBondContact CB-O 3.36Å; V1004-L1019 WeakPolarHBondContact CG1-O 3.48Å; V1004-D1021 PolarHBondContact O-N 2.99Å; V1004-D1022 HydrophobicContact CB-CB 4.24Å; V1004-D1022 HydrophobicContact CG2-CB 4.03Å; V1004-D1022 WeakPolarHBondContact CG2-O 3.15Å; V1004-D1022 PolarHBondContact N-O 2.98Å; V1004-V1024 HydrophobicContact CG2-CG1 3.79Å; V1004-V1024 HydrophobicContact CG2-CG2 4.11Å; V1004-Y1055 CarbonylContact C-O 3.51Å; V1004-Y1055 WeakPolarHBondContact CA-O 3.11Å; V1004-L1056 HydrophobicContact CG2-CD2 3.79Å
1005A86.8Confident75.8Confident5 Ų578.7 Ų78.74%0.04142%0.419CS..  trans-85.1-19.1-174.900000114.4V1003 Y1055 K1057V1003-A1005 PolarHBondContact O-N 2.93Å; A1005-Y1055 WeakPolarHBondContact CB-O 3.5Å; A1005-Y1055 PolarHBondContact N-O 2.79Å; A1005-K1057 HydrophobicContact CB-CD 3.66Å; A1005-K1057 VanDerWaalsContact CB-CE 3.44Å; A1005-K1057 HydrophobicContact CB-CG 3.89Å
1006Y88.6Confident78.6Confident129 Ų12971 Ų7151%0.50638%0.384SS..SBendtrans-153.2147.8-179.1-55.7-75000109.2V1004 F1008 Y1055V1004-Y1006 WeakPolarHBondContact CG1-O 3.4Å; Y1006-F1008 PolarHBondContact O-N 3.01Å; Y1006-Y1055 WeakPolarHBondContact O-CD1 3.34Å
1007D91Very high81.3Confident100 Ų10068.2 Ų68.254%0.53537%0.374SS..  trans-53.9129.2170.9-65.8-16000111.2L1019 E1020 Y1055D1007-L1019 WeakPolarHBondContact OD1-CA 3.36Å; D1007-E1020 PolarHBondContact OD1-N 2.82Å; D1007-Y1055 WeakPolarHBondContact O-CE1 3.38Å
1008F91.4Very high83.7Confident23 Ų2360.5 Ų60.510%0.10133%0.334CS..BIsolated β-bridgetrans-126.7123.1173.4176.3-105.7000110Y1006 E1015 L1016 S1017 V1018 W1038 V1051 P1052 Y1055Y1006-F1008 PolarHBondContact O-N 3.01Å; F1008-E1015 HydrophobicContact CE1-CB 4.14Å; F1008-E1015 HydrophobicContact CZ-CB 4.34Å; F1008-E1015 HydrophobicContact CZ-CG 4.37Å; F1008-L1016 WeakPolarHBondContact CD1-O 3.46Å; F1008-L1016 WeakPolarHBondContact CE1-O 3.44Å; F1008-S1017 CarbonylContact O-C 3.47Å; F1008-S1017 VanDerWaalsContact O-CA 3.24Å; F1008-S1017 WeakPolarHBondContact O-CA 3.12Å; F1008-V1018 HydrophobicContact CB-CG2 3.84Å; F1008-V1018 HydrophobicContact CD1-CG2 4.43Å; F1008-V1018 PolarHBondContact N-O 2.84Å; F1008-V1018 PolarHBondContact O-N 2.83Å; F1008-V1018 VanDerWaalsContact O-O 3.08Å; F1008-W1038 HydrophobicContact CE1-CZ3 4.35Å; F1008-W1038 HydrophobicContact CE2-CH2 4.18Å; F1008-W1038 HydrophobicContact CE2-CZ3 4.25Å; F1008-W1038 AromaticContact CZ-CH2 3.9Å; F1008-W1038 HydrophobicContact CZ-CH2 3.9Å; F1008-W1038 AromaticContact CZ-CZ3 3.66Å; F1008-W1038 HydrophobicContact CZ-CZ3 3.66Å; F1008-V1051 HydrophobicContact CB-CG1 4.45Å; F1008-V1051 HydrophobicContact CD1-CB 4.4Å; F1008-V1051 HydrophobicContact CD1-CG1 4.08Å; F1008-V1051 HydrophobicContact CD1-CG2 4.04Å; F1008-V1051 HydrophobicContact CE1-CG2 4.38Å; F1008-V1051 HydrophobicContact CG-CG1 4.35Å; F1008-P1052 HydrophobicContact CD2-CG 3.99Å; F1008-P1052 HydrophobicContact CE2-CG 3.76Å; F1008-P1052 HydrophobicContact CZ-CG 4.25Å; F1008-Y1055 HydrophobicContact CB-CD1 3.75Å; F1008-Y1055 HydrophobicContact CB-CE1 4.07Å; F1008-Y1055 HydrophobicContact CD2-CD1 4.43Å; F1008-Y1055 HydrophobicContact CD2-CE1 4.26Å; F1008-Y1055 HydrophobicContact CG-CD1 4.46Å
1009Q89.4Confident85.7Confident164 Ų16460.4 Ų60.477%0.76633%0.329SS*.  trans-105.9120178.8-168.8165.15.800110.1S1011Q1009-S1011 PolarHBondContact O-N 3.14Å
1010A88.5Confident87.2Confident30 Ų3062.3 Ų62.325%0.24834%0.336CS..  trans-60123.3-179.700000110.9E1015 S1017A1010-E1015 HydrophobicContact CB-CB 3.7Å; A1010-E1015 WeakPolarHBondContact CB-O 3.41Å; A1010-S1017 VanDerWaalsContact CB-OG 3.23Å; A1010-S1017 WeakPolarHBondContact CB-OG 3.27Å; A1010-S1017 PolarHBondContact N-OG 2.94Å
1011S81.9Confident87.6Confident114 Ų11464.4 Ų64.480%0.79735%0.349SS*.SBendtrans-91.6-23.2172.7-62.60000111.7Q1009 E1015Q1009-S1011 PolarHBondContact O-N 3.14Å; S1011-E1015 WeakPolarHBondContact CA-OE2 3.35Å; S1011-E1015 WeakPolarHBondContact CB-OE2 3.49Å; S1011-E1015 PolarHBondContact N-OE2 2.87Å
1012G79.2Confident87.8Confident25 Ų2563.2 Ų63.226%0.25835%0.347SS..SBendtrans-122.2167.7179.400000114.1D1014 E1015G1012-D1014 VanDerWaalsContact C-N 3.31Å; G1012-D1014 PolarHBondContact O-N 3.44Å; G1012-E1015 PolarHBondContact N-OE2 3.02Å; G1012-E1015 PolarHBondContact O-N 2.69Å
1013P77.3Confident87.6Confident58 Ų5865.2 Ų65.238%0.37736%0.357SS..THydrogen-bonded Turntrans-75.2-18.6179.632.7-37.5000114.1F820F820-P1013 HydrophobicContact CE1-CG 4.01Å; F820-P1013 HydrophobicContact CZ-CG 3.75Å
1014D84.8Confident87.6Confident98 Ų9863.8 Ų63.852%0.52435%0.349SS..THydrogen-bonded Turntrans-89.9-10.4178-54.3-31.5000111.1G1012 G1049 Y1050G1012-D1014 VanDerWaalsContact C-N 3.31Å; G1012-D1014 PolarHBondContact O-N 3.44Å; D1014-G1049 CarbonylContact O-C 3.52Å; D1014-G1049 VanDerWaalsContact O-CA 3.27Å; D1014-G1049 WeakPolarHBondContact O-CA 3.42Å; D1014-Y1050 HydrophobicContact CB-CD2 4.07Å; D1014-Y1050 HydrophobicContact CB-CE2 4.45Å; D1014-Y1050 VanDerWaalsContact O-CD2 3.25Å; D1014-Y1050 WeakPolarHBondContact O-CD2 3.45Å; D1014-Y1050 PolarHBondContact O-N 3.03Å
1015E91.6Very high87.6Confident52 Ų5264.9 Ų64.924%0.24336%0.356CS..BIsolated β-bridgetrans-91.5147.4178.6-67.6170-164.800110.5F1008 A1010 S1011 G1012 W1038 Y1050F1008-E1015 HydrophobicContact CE1-CB 4.14Å; F1008-E1015 HydrophobicContact CZ-CB 4.34Å; F1008-E1015 HydrophobicContact CZ-CG 4.37Å; A1010-E1015 HydrophobicContact CB-CB 3.7Å; A1010-E1015 WeakPolarHBondContact CB-O 3.41Å; S1011-E1015 WeakPolarHBondContact CA-OE2 3.35Å; S1011-E1015 WeakPolarHBondContact CB-OE2 3.49Å; S1011-E1015 PolarHBondContact N-OE2 2.87Å; G1012-E1015 PolarHBondContact N-OE2 3.02Å; G1012-E1015 PolarHBondContact O-N 2.69Å; E1015-W1038 HydrophobicContact CG-CZ3 4.04Å; E1015-Y1050 VanDerWaalsContact CA-O 3.28Å; E1015-Y1050 WeakPolarHBondContact CA-O 3.29Å
1016L91.3Very high87.7Confident18 Ų1865.1 Ų65.19%0.09436%0.356CS..  trans-105129.9177.6-172.664000110F1008 V1018 V1041 D1047 Y1050 V1051F1008-L1016 WeakPolarHBondContact CD1-O 3.46Å; F1008-L1016 WeakPolarHBondContact CE1-O 3.44Å; L1016-V1018 HydrophobicContact CD2-CG1 3.95Å; L1016-V1018 HydrophobicContact CG-CG1 3.98Å; L1016-V1041 HydrophobicContact CD2-CG2 3.93Å; L1016-D1047 HydrophobicContact CD1-CB 3.81Å; L1016-D1047 WeakPolarHBondContact CD2-O 3.46Å; L1016-Y1050 PolarHBondContact N-O 3.26Å; L1016-Y1050 VanDerWaalsContact N-O 3.12Å; L1016-V1051 HydrophobicContact CB-CG2 4.03Å
1017S90.7Very high87.4Confident73 Ų7362.4 Ų62.451%0.5135%0.348SS..  trans-80.2128.8171.1-57.90000109.3F1008 A1010F1008-S1017 CarbonylContact O-C 3.47Å; F1008-S1017 VanDerWaalsContact O-CA 3.24Å; F1008-S1017 WeakPolarHBondContact O-CA 3.12Å; A1010-S1017 VanDerWaalsContact CB-OG 3.23Å; A1010-S1017 WeakPolarHBondContact CB-OG 3.27Å; A1010-S1017 PolarHBondContact N-OG 2.94Å
1018V92.2Very high87.3Confident4 Ų461.2 Ų61.22%0.02434%0.342CS..BIsolated β-bridgetrans-137.5148.5-178.5-67.50000109.9V1004 F1008 L1016 V1024 V1051V1004-V1018 HydrophobicContact CB-CG2 4.4Å; V1004-V1018 HydrophobicContact CG1-CB 4.15Å; V1004-V1018 HydrophobicContact CG1-CG2 3.65Å; V1004-V1018 HydrophobicContact CG2-CB 3.87Å; V1004-V1018 HydrophobicContact CG2-CG1 4.37Å; V1004-V1018 HydrophobicContact CG2-CG2 3.83Å; F1008-V1018 HydrophobicContact CB-CG2 3.84Å; F1008-V1018 HydrophobicContact CD1-CG2 4.43Å; F1008-V1018 PolarHBondContact N-O 2.84Å; F1008-V1018 PolarHBondContact O-N 2.83Å; F1008-V1018 VanDerWaalsContact O-O 3.08Å; L1016-V1018 HydrophobicContact CD2-CG1 3.95Å; L1016-V1018 HydrophobicContact CG-CG1 3.98Å; V1018-V1024 HydrophobicContact CG1-CG1 4.18Å; V1018-V1051 HydrophobicContact CG1-CG2 4.26Å; V1018-V1051 HydrophobicContact CG2-CG1 4.03Å; V1018-V1051 HydrophobicContact CG2-CG2 3.99Å
1019L86.6Confident87.2Confident106 Ų10665 Ų6556%0.55536%0.356SS*.  trans-100.8155.2176.9-63.3174000110.5V1004 D1007 D1022V1004-L1019 VanDerWaalsContact CB-O 3.25Å; V1004-L1019 WeakPolarHBondContact CB-O 3.36Å; V1004-L1019 WeakPolarHBondContact CG1-O 3.48Å; D1007-L1019 WeakPolarHBondContact OD1-CA 3.36Å; L1019-D1022 PolarHBondContact N-OD2 3.33Å; L1019-D1022 VanDerWaalsContact O-CB 3.26Å; L1019-D1022 WeakPolarHBondContact O-CB 3.37Å; L1019-D1022 PolarHBondContact O-N 3.15Å; L1019-D1022 VanDerWaalsContact O-N 3.12Å
1020E89.5Confident87Confident105 Ų10564.4 Ų64.449%0.49135%0.346SS..THydrogen-bonded Turntrans-53.3138.5170.7-173.3173.5-178.700110.4D1007 D1022D1007-E1020 PolarHBondContact OD1-N 2.82Å; E1020-D1022 VanDerWaalsContact C-N 3.27Å; E1020-D1022 PolarHBondContact O-N 3.05Å
1021D84.1Confident86.9Confident127 Ų12764.4 Ų64.468%0.67934%0.342SS*.THydrogen-bonded Turntrans70.81.9-173.6-59.4-40.2000116.7V1004V1004-D1021 PolarHBondContact O-N 2.99Å
1022D88.6Confident86.7Confident65 Ų6566.1 Ų66.135%0.34834%0.342SS..  trans-63.9136.8172.1-77.2-14.5000111.2V1003 V1004 L1019 E1020V1003-D1022 WeakPolarHBondContact CA-O 3.44Å; V1004-D1022 HydrophobicContact CB-CB 4.24Å; V1004-D1022 HydrophobicContact CG2-CB 4.03Å; V1004-D1022 WeakPolarHBondContact CG2-O 3.15Å; V1004-D1022 PolarHBondContact N-O 2.98Å; L1019-D1022 PolarHBondContact N-OD2 3.33Å; L1019-D1022 VanDerWaalsContact O-CB 3.26Å; L1019-D1022 WeakPolarHBondContact O-CB 3.37Å; L1019-D1022 PolarHBondContact O-N 3.15Å; L1019-D1022 VanDerWaalsContact O-N 3.12Å; E1020-D1022 VanDerWaalsContact C-N 3.27Å; E1020-D1022 PolarHBondContact O-N 3.05Å
1023L85.8Confident86.5Confident42 Ų4275.4 Ų75.422%0.2237%0.369CS..EExtended strand (participates in β ladder)trans-84.2129171-167.871.8000109.9F1001 V1003 E1044 Y1059F1001-L1023 HydrophobicContact CB-CD1 4.24Å; F1001-L1023 HydrophobicContact CD1-CD1 4.41Å; F1001-L1023 HydrophobicContact CD1-CD2 3.94Å; F1001-L1023 HydrophobicContact CD1-CG 4.17Å; F1001-L1023 HydrophobicContact CE1-CD2 4.42Å; V1003-L1023 HydrophobicContact CG2-CD1 4.22Å; L1023-E1044 HydrophobicContact CB-CG 4.11Å; L1023-E1044 WeakPolarHBondContact CB-OE1 3.18Å; L1023-E1044 VanDerWaalsContact O-CG 3.31Å; L1023-E1044 WeakPolarHBondContact O-CG 3.18Å; L1023-Y1059 HydrophobicContact CD1-CD1 4.44Å; L1023-Y1059 HydrophobicContact CD1-CD2 3.74Å; L1023-Y1059 HydrophobicContact CD1-CE2 4.23Å; L1023-Y1059 HydrophobicContact CD1-CG 3.84Å
1024V90.5Very high86.5Confident1 Ų175 Ų751%0.00638%0.375CS..EExtended strand (participates in β ladder)trans-132.4150.6177.5-59.40000110.9C1002 V1004 V1018 V1041 E1042 L1056C1002-V1024 HydrophobicContact CB-CG2 4.14Å; C1002-V1024 PolarHBondContact N-O 3.18Å; C1002-V1024 PolarHBondContact O-N 2.72Å; C1002-V1024 VanDerWaalsContact O-O 3.09Å; V1004-V1024 HydrophobicContact CG2-CG1 3.79Å; V1004-V1024 HydrophobicContact CG2-CG2 4.11Å; V1018-V1024 HydrophobicContact CG1-CG1 4.18Å; V1024-V1041 HydrophobicContact CB-CB 4.12Å; V1024-V1041 HydrophobicContact CB-CG2 4.48Å; V1024-V1041 HydrophobicContact CG2-CB 4.2Å; V1024-V1041 HydrophobicContact CG2-CG1 4.17Å; V1024-E1042 CarbonylContact C-O 3.48Å; V1024-E1042 VanDerWaalsContact CA-O 3.31Å; V1024-E1042 WeakPolarHBondContact CA-O 3.42Å; V1024-L1056 HydrophobicContact CG2-CD2 3.6Å
1025V89Confident86.6Confident24 Ų2472.9 Ų72.915%0.14536%0.364CS..EExtended strand (participates in β ladder)trans-101.3125.4175.2178.30000108.8D999 F1001 V1041 E1042D999-V1025 HydrophobicContact CB-CG1 3.5Å; F1001-V1025 HydrophobicContact CD1-CG2 3.74Å; F1001-V1025 HydrophobicContact CE1-CG2 3.54Å; F1001-V1025 HydrophobicContact CZ-CG2 4.3Å; V1025-V1041 CarbonylContact O-C 3.57Å; V1025-V1041 WeakPolarHBondContact O-CA 3.21Å; V1025-E1042 HydrophobicContact CB-CB 4.4Å; V1025-E1042 PolarHBondContact N-O 3.42Å; V1025-E1042 PolarHBondContact O-N 2.86Å
1026V89.8Confident86.4Confident9 Ų973.1 Ų73.16%0.05538%0.375CS..EExtended strand (participates in β ladder)trans-87.4117.2178-176.90000109.6E1000 C1002 R1029 W1039 V1041 L1056E1000-V1026 PolarHBondContact O-N 2.66Å; C1002-V1026 HydrophobicContact CB-CG2 3.99Å; C1002-V1026 VanDerWaalsContact SG-CG2 3.55Å; V1026-R1029 HydrophobicContact CG1-CG 4.11Å; V1026-W1039 HydrophobicContact CG1-CB 4.25Å; V1026-W1039 HydrophobicContact CG1-CD2 4.33Å; V1026-W1039 HydrophobicContact CG1-CE3 3.88Å; V1026-W1039 HydrophobicContact CG2-CE3 3.95Å; V1026-W1039 HydrophobicContact CG2-CZ3 4.46Å; V1026-V1041 HydrophobicContact CG2-CG1 4Å; V1026-L1056 HydrophobicContact CG2-CD1 4.29Å
1027H83.1Confident86.4Confident73 Ų7377.1 Ų77.134%0.33840%0.396SS..EExtended strand (participates in β ladder)trans-96.1-35.5179.2-78.1-91.3000112.8D999 L1040 E1042 F1048D999-H1027 IonicContact OD1-CE1 3.73Å; D999-H1027 IonicContact OD1-ND1 3.55Å; D999-H1027 IonicContact OD2-CE1 3.79Å; H1027-L1040 PolarHBondContact N-O 2.72Å; H1027-E1042 IonicContact CD2-OE2 3.92Å; H1027-E1042 IonicContact CE1-OE2 3.58Å; H1027-E1042 IonicContact NE2-OE2 2.83Å; H1027-E1042 PolarHBondContact NE2-OE2 3.18Å; H1027-F1048 AromaticContact CD2-CE1 3.63Å; H1027-F1048 AromaticContact CE1-CE1 3.99Å; H1027-F1048 AromaticContact NE2-CE1 3.51Å
1028D87.5Confident86.5Confident75 Ų7576.8 Ų76.840%0.40138%0.384SS..EExtended strand (participates in β ladder)trans-146.3139.4175.8-162-19000110.3R1030 W1039 L1040D1028-R1030 VanDerWaalsContact C-N 3.28Å; D1028-R1030 PolarHBondContact O-N 3.25Å; D1028-R1030 PolarHBondContact OD1-N 3.35Å; D1028-W1039 CarbonylContact O-C 3.52Å; D1028-W1039 VanDerWaalsContact O-CA 3.24Å; D1028-W1039 WeakPolarHBondContact O-CA 3.48Å; D1028-W1039 WeakPolarHBondContact O-CB 3Å; D1028-L1040 HydrophobicContact CB-CB 4.12Å; D1028-L1040 PolarHBondContact N-O 2.95Å; D1028-L1040 PolarHBondContact O-N 3.35Å
1029R89.8Confident86.6Confident103 Ų10378.5 Ų78.539%0.38939%0.39SS..SBendtrans-91.214.2-179.2-68.5176.5174.5-92.53.6112.9E1000 V1026 W1039E1000-R1029 IonicContact OE2-CZ 3.81Å; E1000-R1029 IonicContact OE2-NH2 2.62Å; E1000-R1029 PolarHBondContact OE2-NH2 2.71Å; V1026-R1029 HydrophobicContact CG1-CG 4.11Å; R1029-W1039 HydrophobicContact CB-CD2 4.37Å; R1029-W1039 HydrophobicContact CB-CG 4.33Å; R1029-W1039 HydrophobicContact CG-CD2 4.06Å; R1029-W1039 HydrophobicContact CG-CE3 4.48Å; R1029-W1039 HydrophobicContact CG-CG 4.4Å; R1029-W1039 HydrophobicContact CG-CZ2 4.45Å; R1029-W1039 VanDerWaalsContact NH1-CZ3 3.3Å; R1029-W1039 PolarHBondContact O-NE1 3.3Å
1030R85.7Confident86.8Confident151 Ų15175.4 Ų75.457%0.5737%0.374SS*.SBendtrans-141.7148.9-179.3-61.9-176.4-82.8-130-1.6111D1028 N1035 W1038D1028-R1030 VanDerWaalsContact C-N 3.28Å; D1028-R1030 PolarHBondContact O-N 3.25Å; D1028-R1030 PolarHBondContact OD1-N 3.35Å; R1030-N1035 WeakPolarHBondContact CA-O 3.48Å; R1030-W1038 CarbonylContact C-O 3.45Å; R1030-W1038 VanDerWaalsContact C-O 3.24Å; R1030-W1038 WeakPolarHBondContact CA-O 3.32Å
1031D85.3Confident87Confident30 Ų3070.4 Ų70.416%0.1635%0.35CS..  trans-77.6174.6169.478.1-1000112.8R1033 G1034 N1035 W1038 Y1050D1031-R1033 PolarHBondContact O-N 2.92Å; D1031-R1033 VanDerWaalsContact OD1-C 3.24Å; D1031-R1033 VanDerWaalsContact OD1-CA 3.23Å; D1031-R1033 WeakPolarHBondContact OD1-CA 3.09Å; D1031-R1033 WeakPolarHBondContact OD1-CB 3.46Å; D1031-R1033 PolarHBondContact OD1-N 3.31Å; D1031-G1034 PolarHBondContact O-N 3.45Å; D1031-G1034 PolarHBondContact OD1-N 2.9Å; D1031-N1035 PolarHBondContact N-O 3.24Å; D1031-N1035 VanDerWaalsContact OD1-CB 3.32Å; D1031-N1035 WeakPolarHBondContact OD1-CB 3.47Å; D1031-N1035 PolarHBondContact OD1-N 2.9Å; D1031-W1038 HydrophobicContact CB-CB 4.03Å; D1031-W1038 PolarHBondContact N-O 2.88Å; D1031-Y1050 HydrophobicContact CB-CD1 4.2Å; D1031-Y1050 HydrophobicContact CB-CE1 4.02Å
1032L77.9Confident87.3Confident150 Ų15066.2 Ų66.279%0.78533%0.327SS*.THydrogen-bonded Turntrans-57.8-12.5175.2-64.2177.5000114.4Y1050L1032-Y1050 HydrophobicContact CG-CE2 4.42Å; L1032-Y1050 WeakPolarHBondContact CG-OH 2.92Å
1033R75.8Confident87.1Confident219 Ų21964 Ų6483%0.82632%0.317SS*.THydrogen-bonded Turntrans-104.72.5178.7-57.7174.863.5-127.3-2.5112D1031D1031-R1033 PolarHBondContact O-N 2.92Å; D1031-R1033 VanDerWaalsContact OD1-C 3.24Å; D1031-R1033 VanDerWaalsContact OD1-CA 3.23Å; D1031-R1033 WeakPolarHBondContact OD1-CA 3.09Å; D1031-R1033 WeakPolarHBondContact OD1-CB 3.46Å; D1031-R1033 PolarHBondContact OD1-N 3.31Å
1034G77.5Confident86.4Confident49 Ų4967.6 Ų67.651%0.50533%0.332SS..  trans79.414.3-177.800000114.5D1031 A1036D1031-G1034 PolarHBondContact O-N 3.45Å; D1031-G1034 PolarHBondContact OD1-N 2.9Å; G1034-A1036 PolarHBondContact O-N 2.88Å
1035N85.5Confident85.6Confident54 Ų5472.3 Ų72.329%0.28936%0.361SS..  trans-75.3120.9176.1-172.93.4000110.6R1030 D1031 D1037R1030-N1035 WeakPolarHBondContact CA-O 3.48Å; D1031-N1035 PolarHBondContact N-O 3.24Å; D1031-N1035 VanDerWaalsContact OD1-CB 3.32Å; D1031-N1035 WeakPolarHBondContact OD1-CB 3.47Å; D1031-N1035 PolarHBondContact OD1-N 2.9Å; N1035-D1037 VanDerWaalsContact C-N 3.28Å; N1035-D1037 PolarHBondContact O-N 3.32Å; N1035-D1037 PolarHBondContact OD1-N 2.87Å; N1035-D1037 VanDerWaalsContact OD1-N 3.13Å
1036A88.6Confident84.8Confident58 Ų5871.7 Ų71.748%0.47936%0.359SS..THydrogen-bonded Turntrans-77.9-9.4-178.900000114.3G1034 W1038 W1039G1034-A1036 PolarHBondContact O-N 2.88Å; A1036-W1038 PolarHBondContact O-N 2.96Å; A1036-W1039 PolarHBondContact O-NE1 3.17Å
1037D90.9Very high84.4Confident102 Ų10275.6 Ų75.655%0.54538%0.379SS..THydrogen-bonded Turntrans-77.3-9.9178.5-66.1-26.3000113.1N1035 P1052 A1053N1035-D1037 VanDerWaalsContact C-N 3.28Å; N1035-D1037 PolarHBondContact O-N 3.32Å; N1035-D1037 PolarHBondContact OD1-N 2.87Å; N1035-D1037 VanDerWaalsContact OD1-N 3.13Å; D1037-P1052 CarbonylContact O-C 3.56Å; D1037-P1052 VanDerWaalsContact O-CA 3.32Å; D1037-P1052 WeakPolarHBondContact O-CA 3.34Å; D1037-A1053 WeakPolarHBondContact O-CB 3.29Å; D1037-A1053 PolarHBondContact O-N 2.82Å
1038W93Very high84.6Confident66 Ų6677.6 Ų77.625%0.2539%0.387CS..EExtended strand (participates in β ladder)trans-127124.3-177-70.686.4000109.8F1008 E1015 R1030 D1031 A1036 P1052F1008-W1038 HydrophobicContact CE1-CZ3 4.35Å; F1008-W1038 HydrophobicContact CE2-CH2 4.18Å; F1008-W1038 HydrophobicContact CE2-CZ3 4.25Å; F1008-W1038 AromaticContact CZ-CH2 3.9Å; F1008-W1038 HydrophobicContact CZ-CH2 3.9Å; F1008-W1038 AromaticContact CZ-CZ3 3.66Å; F1008-W1038 HydrophobicContact CZ-CZ3 3.66Å; E1015-W1038 HydrophobicContact CG-CZ3 4.04Å; R1030-W1038 CarbonylContact C-O 3.45Å; R1030-W1038 VanDerWaalsContact C-O 3.24Å; R1030-W1038 WeakPolarHBondContact CA-O 3.32Å; D1031-W1038 HydrophobicContact CB-CB 4.03Å; D1031-W1038 PolarHBondContact N-O 2.88Å; A1036-W1038 PolarHBondContact O-N 2.96Å; W1038-P1052 HydrophobicContact CE3-CG 4.03Å; W1038-P1052 HydrophobicContact CH2-CG 3.75Å; W1038-P1052 HydrophobicContact CZ2-CG 4.23Å; W1038-P1052 HydrophobicContact CZ3-CG 3.63Å
1039W93.6Very high84.7Confident39 Ų3974.1 Ų74.115%0.14837%0.37CS..EExtended strand (participates in β ladder)trans-112.8139.5-177.7-64.5-0.1000109.8V1026 D1028 R1029 A1036 V1041 Y1050 V1051 A1053 L1056V1026-W1039 HydrophobicContact CG1-CB 4.25Å; V1026-W1039 HydrophobicContact CG1-CD2 4.33Å; V1026-W1039 HydrophobicContact CG1-CE3 3.88Å; V1026-W1039 HydrophobicContact CG2-CE3 3.95Å; V1026-W1039 HydrophobicContact CG2-CZ3 4.46Å; D1028-W1039 CarbonylContact O-C 3.52Å; D1028-W1039 VanDerWaalsContact O-CA 3.24Å; D1028-W1039 WeakPolarHBondContact O-CA 3.48Å; D1028-W1039 WeakPolarHBondContact O-CB 3Å; R1029-W1039 HydrophobicContact CB-CD2 4.37Å; R1029-W1039 HydrophobicContact CB-CG 4.33Å; R1029-W1039 HydrophobicContact CG-CD2 4.06Å; R1029-W1039 HydrophobicContact CG-CE3 4.48Å; R1029-W1039 HydrophobicContact CG-CG 4.4Å; R1029-W1039 HydrophobicContact CG-CZ2 4.45Å; R1029-W1039 VanDerWaalsContact NH1-CZ3 3.3Å; R1029-W1039 PolarHBondContact O-NE1 3.3Å; A1036-W1039 PolarHBondContact O-NE1 3.17Å; W1039-V1041 HydrophobicContact CB-CG1 4.45Å; W1039-Y1050 VanDerWaalsContact O-CA 3.3Å; W1039-Y1050 WeakPolarHBondContact O-CA 3.05Å; W1039-V1051 PolarHBondContact N-O 2.9Å; W1039-V1051 PolarHBondContact O-N 3.12Å; W1039-A1053 HydrophobicContact CD2-CB 3.81Å; W1039-A1053 HydrophobicContact CG-CB 4.04Å; W1039-A1053 HydrophobicContact CH2-CB 4.32Å; W1039-A1053 HydrophobicContact CZ2-CB 3.64Å; W1039-A1053 VanDerWaalsContact NE1-CB 3.32Å; W1039-L1056 HydrophobicContact CB-CD1 4.33Å; W1039-L1056 HydrophobicContact CD2-CD1 4.49Å; W1039-L1056 HydrophobicContact CE3-CD1 3.75Å; W1039-L1056 HydrophobicContact CZ3-CB 4.37Å; W1039-L1056 HydrophobicContact CZ3-CD1 4.4Å
1040L92.5Very high84.9Confident42 Ų4270.7 Ų70.722%0.2236%0.357CS..EExtended strand (participates in β ladder)trans-79.6118.8172.7-176.362.4000108.3H1027 D1028 Y1050H1027-L1040 PolarHBondContact N-O 2.72Å; D1028-L1040 HydrophobicContact CB-CB 4.12Å; D1028-L1040 PolarHBondContact N-O 2.95Å; D1028-L1040 PolarHBondContact O-N 3.35Å; L1040-Y1050 HydrophobicContact CB-CD1 4.06Å; L1040-Y1050 HydrophobicContact CB-CE1 3.66Å; L1040-Y1050 HydrophobicContact CD1-CD1 4.38Å; L1040-Y1050 HydrophobicContact CD1-CE1 4.12Å; L1040-Y1050 HydrophobicContact CD1-CE2 4.29Å; L1040-Y1050 HydrophobicContact CG-CE1 4.41Å
1041V92.7Very high85.3Confident0 Ų063.5 Ų63.50%033%0.33CS..EExtended strand (participates in β ladder)trans-123.6151.9-178.9-60.10000112L1016 V1024 V1025 V1026 W1039 F1048 G1049 V1051 L1056L1016-V1041 HydrophobicContact CD2-CG2 3.93Å; V1024-V1041 HydrophobicContact CB-CB 4.12Å; V1024-V1041 HydrophobicContact CB-CG2 4.48Å; V1024-V1041 HydrophobicContact CG2-CB 4.2Å; V1024-V1041 HydrophobicContact CG2-CG1 4.17Å; V1025-V1041 CarbonylContact O-C 3.57Å; V1025-V1041 WeakPolarHBondContact O-CA 3.21Å; V1026-V1041 HydrophobicContact CG2-CG1 4Å; W1039-V1041 HydrophobicContact CB-CG1 4.45Å; V1041-F1048 WeakPolarHBondContact O-CA 3.46Å; V1041-G1049 WeakPolarHBondContact CG2-O 3.48Å; V1041-G1049 PolarHBondContact N-O 2.83Å; V1041-G1049 PolarHBondContact O-N 2.92Å; V1041-V1051 HydrophobicContact CG2-CB 3.96Å; V1041-V1051 HydrophobicContact CG2-CG2 3.47Å; V1041-V1051 VanDerWaalsContact CG2-CG2 3.47Å; V1041-L1056 HydrophobicContact CG1-CD1 3.58Å
1042E89.9Confident85.7Confident39 Ų3962.8 Ų62.818%0.18233%0.327CS..EExtended strand (participates in β ladder)trans-109.3126.3170.4-175.1-177.9-177.900109.1V1024 V1025 H1027 D1047 F1048V1024-E1042 CarbonylContact C-O 3.48Å; V1024-E1042 VanDerWaalsContact CA-O 3.31Å; V1024-E1042 WeakPolarHBondContact CA-O 3.42Å; V1025-E1042 HydrophobicContact CB-CB 4.4Å; V1025-E1042 PolarHBondContact N-O 3.42Å; V1025-E1042 PolarHBondContact O-N 2.86Å; H1027-E1042 IonicContact CD2-OE2 3.92Å; H1027-E1042 IonicContact CE1-OE2 3.58Å; H1027-E1042 IonicContact NE2-OE2 2.83Å; H1027-E1042 PolarHBondContact NE2-OE2 3.18Å; E1042-D1047 WeakPolarHBondContact CA-O 3.39Å; E1042-F1048 HydrophobicContact CB-CD1 3.95Å; E1042-F1048 HydrophobicContact CB-CE1 3.73Å; E1042-F1048 HydrophobicContact CB-CG 4.46Å; E1042-F1048 HydrophobicContact CB-CZ 4.02Å; E1042-F1048 HydrophobicContact CG-CD1 4.33Å; E1042-F1048 HydrophobicContact CG-CD2 4.3Å; E1042-F1048 HydrophobicContact CG-CE1 3.94Å; E1042-F1048 HydrophobicContact CG-CE2 3.88Å; E1042-F1048 HydrophobicContact CG-CZ 3.68Å; E1042-F1048 WeakPolarHBondContact OE2-CZ 3.27Å
1043S85.5Confident86.3Confident19 Ų1956.4 Ų56.413%0.13330%0.295CS..EExtended strand (participates in β ladder)trans-73.2165.2173.558.40000112.4V1045 G1046 D1047S1043-V1045 PolarHBondContact O-N 3.17Å; S1043-G1046 PolarHBondContact O-N 2.85Å; S1043-D1047 PolarHBondContact N-O 3.14Å; S1043-D1047 PolarHBondContact OG-N 2.93Å; S1043-D1047 VanDerWaalsContact OG-N 3.13Å; S1043-D1047 PolarHBondContact OG-O 2.94Å
1044E71.6Confident87Confident117 Ų11751 Ų5155%0.54729%0.287SS..THydrogen-bonded Turntrans-55.5-19.7171.8-60.8-162.5157.800114.4C636 L1023C636-E1044 WeakPolarHBondContact CB-O 3.38Å; C636-E1044 PolarHBondContact SG-O 2.73Å; L1023-E1044 HydrophobicContact CB-CG 4.11Å; L1023-E1044 WeakPolarHBondContact CB-OE1 3.18Å; L1023-E1044 VanDerWaalsContact O-CG 3.31Å; L1023-E1044 WeakPolarHBondContact O-CG 3.18Å
1045V72.9Confident87.8Confident100 Ų10052.5 Ų52.561%0.60628%0.278SS*.THydrogen-bonded Turntrans-89.8-5.9179.7-142.70000112.7S1043S1043-V1045 PolarHBondContact O-N 3.17Å
1046G72.4Confident88.2Confident11 Ų1150.6 Ų50.611%0.11327%0.268CS..SBendtrans83.116-177.100000114.5S1043S1043-G1046 PolarHBondContact O-N 2.85Å
1047D80.6Confident88.1Confident90 Ų9053.2 Ų53.248%0.48127%0.268SS..  trans-85.3134.6171.9-71.1-31.5000110.1L1016 E1042 S1043L1016-D1047 HydrophobicContact CD1-CB 3.81Å; L1016-D1047 WeakPolarHBondContact CD2-O 3.46Å; E1042-D1047 WeakPolarHBondContact CA-O 3.39Å; S1043-D1047 PolarHBondContact N-O 3.14Å; S1043-D1047 PolarHBondContact OG-N 2.93Å; S1043-D1047 VanDerWaalsContact OG-N 3.13Å; S1043-D1047 PolarHBondContact OG-O 2.94Å
1048F87.2Confident87.9Confident115 Ų11552.3 Ų52.350%0.50427%0.268SS..EExtended strand (participates in β ladder)trans-103.8144.2-179.6-68.9-100.4000111.6H1027 V1041 E1042H1027-F1048 AromaticContact CD2-CE1 3.63Å; H1027-F1048 AromaticContact CE1-CE1 3.99Å; H1027-F1048 AromaticContact NE2-CE1 3.51Å; V1041-F1048 WeakPolarHBondContact O-CA 3.46Å; E1042-F1048 HydrophobicContact CB-CD1 3.95Å; E1042-F1048 HydrophobicContact CB-CE1 3.73Å; E1042-F1048 HydrophobicContact CB-CG 4.46Å; E1042-F1048 HydrophobicContact CB-CZ 4.02Å; E1042-F1048 HydrophobicContact CG-CD1 4.33Å; E1042-F1048 HydrophobicContact CG-CD2 4.3Å; E1042-F1048 HydrophobicContact CG-CE1 3.94Å; E1042-F1048 HydrophobicContact CG-CE2 3.88Å; E1042-F1048 HydrophobicContact CG-CZ 3.68Å; E1042-F1048 WeakPolarHBondContact OE2-CZ 3.27Å
1049G90.7Very high87.1Confident3 Ų354.8 Ų54.83%0.03128%0.278CS..EExtended strand (participates in β ladder)trans177.6174.8165.300000112.7D1014 V1041D1014-G1049 CarbonylContact O-C 3.52Å; D1014-G1049 VanDerWaalsContact O-CA 3.27Å; D1014-G1049 WeakPolarHBondContact O-CA 3.42Å; V1041-G1049 WeakPolarHBondContact CG2-O 3.48Å; V1041-G1049 PolarHBondContact N-O 2.83Å; V1041-G1049 PolarHBondContact O-N 2.92Å
1050Y93.7Very high85.9Confident31 Ų3158.3 Ų58.312%0.12230%0.304CS..EExtended strand (participates in β ladder)trans-82.3133.8-178.8-66-76.2000111.3D1014 E1015 L1016 D1031 L1032 W1039 L1040D1014-Y1050 HydrophobicContact CB-CD2 4.07Å; D1014-Y1050 HydrophobicContact CB-CE2 4.45Å; D1014-Y1050 VanDerWaalsContact O-CD2 3.25Å; D1014-Y1050 WeakPolarHBondContact O-CD2 3.45Å; D1014-Y1050 PolarHBondContact O-N 3.03Å; E1015-Y1050 VanDerWaalsContact CA-O 3.28Å; E1015-Y1050 WeakPolarHBondContact CA-O 3.29Å; L1016-Y1050 PolarHBondContact N-O 3.26Å; L1016-Y1050 VanDerWaalsContact N-O 3.12Å; D1031-Y1050 HydrophobicContact CB-CD1 4.2Å; D1031-Y1050 HydrophobicContact CB-CE1 4.02Å; L1032-Y1050 HydrophobicContact CG-CE2 4.42Å; L1032-Y1050 WeakPolarHBondContact CG-OH 2.92Å; W1039-Y1050 VanDerWaalsContact O-CA 3.3Å; W1039-Y1050 WeakPolarHBondContact O-CA 3.05Å; L1040-Y1050 HydrophobicContact CB-CD1 4.06Å; L1040-Y1050 HydrophobicContact CB-CE1 3.66Å; L1040-Y1050 HydrophobicContact CD1-CD1 4.38Å; L1040-Y1050 HydrophobicContact CD1-CE1 4.12Å; L1040-Y1050 HydrophobicContact CD1-CE2 4.29Å; L1040-Y1050 HydrophobicContact CG-CE1 4.41Å
1051V92.9Very high83.8Confident0 Ų061.8 Ų61.80%033%0.327CS..EExtended strand (participates in β ladder)trans-127.7143.3171.8177.60000107.5F1008 L1016 V1018 W1039 V1041 A1053 L1056F1008-V1051 HydrophobicContact CB-CG1 4.45Å; F1008-V1051 HydrophobicContact CD1-CB 4.4Å; F1008-V1051 HydrophobicContact CD1-CG1 4.08Å; F1008-V1051 HydrophobicContact CD1-CG2 4.04Å; F1008-V1051 HydrophobicContact CE1-CG2 4.38Å; F1008-V1051 HydrophobicContact CG-CG1 4.35Å; L1016-V1051 HydrophobicContact CB-CG2 4.03Å; V1018-V1051 HydrophobicContact CG1-CG2 4.26Å; V1018-V1051 HydrophobicContact CG2-CG1 4.03Å; V1018-V1051 HydrophobicContact CG2-CG2 3.99Å; W1039-V1051 PolarHBondContact N-O 2.9Å; W1039-V1051 PolarHBondContact O-N 3.12Å; V1041-V1051 HydrophobicContact CG2-CB 3.96Å; V1041-V1051 HydrophobicContact CG2-CG2 3.47Å; V1041-V1051 VanDerWaalsContact CG2-CG2 3.47Å; V1051-A1053 PolarHBondContact O-N 3.22Å; V1051-L1056 HydrophobicContact CG1-CD2 4.19Å; V1051-L1056 HydrophobicContact CG1-CG 4.32Å
1052P93.8Very high81.2Confident15 Ų1573.8 Ų73.810%0.09739%0.386CS..EExtended strand (participates in β ladder)trans-60.5133.4177.2-2030.5000111F1008 D1037 W1038 T1054 Y1055F1008-P1052 HydrophobicContact CD2-CG 3.99Å; F1008-P1052 HydrophobicContact CE2-CG 3.76Å; F1008-P1052 HydrophobicContact CZ-CG 4.25Å; D1037-P1052 CarbonylContact O-C 3.56Å; D1037-P1052 VanDerWaalsContact O-CA 3.32Å; D1037-P1052 WeakPolarHBondContact O-CA 3.34Å; W1038-P1052 HydrophobicContact CE3-CG 4.03Å; W1038-P1052 HydrophobicContact CH2-CG 3.75Å; W1038-P1052 HydrophobicContact CZ2-CG 4.23Å; W1038-P1052 HydrophobicContact CZ3-CG 3.63Å; P1052-T1054 PolarHBondContact O-N 2.95Å; P1052-T1054 VanDerWaalsContact O-N 3.09Å; P1052-Y1055 HydrophobicContact CB-CD2 3.73Å; P1052-Y1055 HydrophobicContact CB-CE2 4.27Å; P1052-Y1055 HydrophobicContact CB-CG 4.43Å; P1052-Y1055 HydrophobicContact CG-CD2 4Å; P1052-Y1055 HydrophobicContact CG-CE2 4.29Å; P1052-Y1055 WeakPolarHBondContact O-CB 3.37Å; P1052-Y1055 PolarHBondContact O-N 3.38Å
1053A90.4Very high80.8Confident15 Ų1575.6 Ų75.612%0.12440%0.396CS..G310 helixtrans-52.1-36.1179.300000112.7D1037 W1039 V1051 Y1055 L1056D1037-A1053 WeakPolarHBondContact O-CB 3.29Å; D1037-A1053 PolarHBondContact O-N 2.82Å; W1039-A1053 HydrophobicContact CD2-CB 3.81Å; W1039-A1053 HydrophobicContact CG-CB 4.04Å; W1039-A1053 HydrophobicContact CH2-CB 4.32Å; W1039-A1053 HydrophobicContact CZ2-CB 3.64Å; W1039-A1053 VanDerWaalsContact NE1-CB 3.32Å; V1051-A1053 PolarHBondContact O-N 3.22Å; A1053-Y1055 PolarHBondContact O-N 3.3Å; A1053-L1056 PolarHBondContact O-N 3.08Å; A1053-L1056 VanDerWaalsContact O-N 3.14Å
1054T91.6Very high80.5Confident107 Ų10778.5 Ų78.566%0.65641%0.41SS*.G310 helixtrans-69.3-13.6-179.758.10000114P1052P1052-T1054 PolarHBondContact O-N 2.95Å; P1052-T1054 VanDerWaalsContact O-N 3.09Å
1055Y95Very high81Confident80 Ų8076.4 Ų76.431%0.31440%0.403SS..G310 helixtrans-91.7-2.3176.8-77.5-121.1000111.8V1004 A1005 Y1006 D1007 F1008 P1052 A1053V1004-Y1055 CarbonylContact C-O 3.51Å; V1004-Y1055 WeakPolarHBondContact CA-O 3.11Å; A1005-Y1055 WeakPolarHBondContact CB-O 3.5Å; A1005-Y1055 PolarHBondContact N-O 2.79Å; Y1006-Y1055 WeakPolarHBondContact O-CD1 3.34Å; D1007-Y1055 WeakPolarHBondContact O-CE1 3.38Å; F1008-Y1055 HydrophobicContact CB-CD1 3.75Å; F1008-Y1055 HydrophobicContact CB-CE1 4.07Å; F1008-Y1055 HydrophobicContact CD2-CD1 4.43Å; F1008-Y1055 HydrophobicContact CD2-CE1 4.26Å; F1008-Y1055 HydrophobicContact CG-CD1 4.46Å; P1052-Y1055 HydrophobicContact CB-CD2 3.73Å; P1052-Y1055 HydrophobicContact CB-CE2 4.27Å; P1052-Y1055 HydrophobicContact CB-CG 4.43Å; P1052-Y1055 HydrophobicContact CG-CD2 4Å; P1052-Y1055 HydrophobicContact CG-CE2 4.29Å; P1052-Y1055 WeakPolarHBondContact O-CB 3.37Å; P1052-Y1055 PolarHBondContact O-N 3.38Å; A1053-Y1055 PolarHBondContact O-N 3.3Å
1056L92.7Very high81.5Confident14 Ų1475 Ų757%0.07339%0.391CS..EExtended strand (participates in β ladder)trans-112.5139.9-178.4-58.7175.1000109.9C1002 V1004 V1024 V1026 W1039 V1041 V1051 A1053C1002-L1056 HydrophobicContact CB-CB 4.18Å; V1004-L1056 HydrophobicContact CG2-CD2 3.79Å; V1024-L1056 HydrophobicContact CG2-CD2 3.6Å; V1026-L1056 HydrophobicContact CG2-CD1 4.29Å; W1039-L1056 HydrophobicContact CB-CD1 4.33Å; W1039-L1056 HydrophobicContact CD2-CD1 4.49Å; W1039-L1056 HydrophobicContact CE3-CD1 3.75Å; W1039-L1056 HydrophobicContact CZ3-CB 4.37Å; W1039-L1056 HydrophobicContact CZ3-CD1 4.4Å; V1041-L1056 HydrophobicContact CG1-CD1 3.58Å; V1051-L1056 HydrophobicContact CG1-CD2 4.19Å; V1051-L1056 HydrophobicContact CG1-CG 4.32Å; A1053-L1056 PolarHBondContact O-N 3.08Å; A1053-L1056 VanDerWaalsContact O-N 3.14Å
1057K87.7Confident82.1Confident112 Ų11279 Ų7949%0.48741%0.408SS..EExtended strand (participates in β ladder)trans-122.1142.2171.4-74169.6-174.4161.40108.9C1002 V1003 A1005 Y1059C1002-K1057 CarbonylContact C-O 3.56Å; C1002-K1057 WeakPolarHBondContact CA-O 3.23Å; C1002-K1057 WeakPolarHBondContact CB-O 3.42Å; V1003-K1057 PolarHBondContact N-O 3.49Å; V1003-K1057 PolarHBondContact O-N 3.1Å; A1005-K1057 HydrophobicContact CB-CD 3.66Å; A1005-K1057 VanDerWaalsContact CB-CE 3.44Å; A1005-K1057 HydrophobicContact CB-CG 3.89Å; K1057-Y1059 PolarHBondContact O-N 2.78Å
1058P85.5Confident82.2Confident83 Ų8378.3 Ų78.354%0.53940%0.403SS..EExtended strand (participates in β ladder)trans-56.6132.8175.6-21.231.2000111.1T1060P1058-T1060 PolarHBondContact O-N 2.84Å; P1058-T1060 VanDerWaalsContact O-N 3.12Å; P1058-T1060 PolarHBondContact O-OG1 3.45Å
1059Y76.1Confident81.8Confident118 Ų11875.6 Ų75.646%0.46340%0.396SS..  trans-67.9112175.1179.2-113.4000109F1001 V1003 L1023 K1057 V1061F1001-Y1059 HydrophobicContact CB-CD1 4.3Å; F1001-Y1059 HydrophobicContact CB-CG 4.39Å; F1001-Y1059 VanDerWaalsContact O-CB 3.22Å; F1001-Y1059 WeakPolarHBondContact O-CB 3.42Å; F1001-Y1059 PolarHBondContact O-N 3.23Å; V1003-Y1059 HydrophobicContact CG2-CD2 3.46Å; V1003-Y1059 VanDerWaalsContact CG2-CD2 3.46Å; V1003-Y1059 HydrophobicContact CG2-CE2 4.37Å; V1003-Y1059 HydrophobicContact CG2-CG 4.25Å; L1023-Y1059 HydrophobicContact CD1-CD1 4.44Å; L1023-Y1059 HydrophobicContact CD1-CD2 3.74Å; L1023-Y1059 HydrophobicContact CD1-CE2 4.23Å; L1023-Y1059 HydrophobicContact CD1-CG 3.84Å; K1057-Y1059 PolarHBondContact O-N 2.78Å; Y1059-V1061 HydrophobicContact CD1-CG2 4.2Å; Y1059-V1061 HydrophobicContact CE1-CG2 3.69Å
1060T68.2Low81.1Confident114 Ų11481.2 Ų81.270%0.69942%0.424SS*.  trans-102.8112.8176.5-32.20000107.5P1058 M1062P1058-T1060 PolarHBondContact O-N 2.84Å; P1058-T1060 VanDerWaalsContact O-N 3.12Å; P1058-T1060 PolarHBondContact O-OG1 3.45Å; T1060-M1062 PolarHBondContact O-N 2.97Å
1061V49.8Very low80.1Confident114 Ų11485.4 Ų85.469%0.69145%0.449SS*.  trans-63.6115.5171.4-176.20000107.5Y1059Y1059-V1061 HydrophobicContact CD1-CG2 4.2Å; Y1059-V1061 HydrophobicContact CE1-CG2 3.69Å
1062M37.4Very low78.9Confident253 Ų25393.2 Ų93.2100%1.24649%0.49SS*.  trans-83.30165.6-82.6-139.1176.400111.3T1060T1060-M1062 PolarHBondContact O-N 2.97Å

Retrieved 1,062 of 1,062 residues in 321.9 ms (Link to these results)

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